Receptor
PDB id Resolution Class Description Source Keywords
1A0Q 2.3 Å NON-ENZYME: IMMUNE 29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE MUS MUSCULUS CATALYTIC ANTIBODY ESTERASE
Ref.: A COMPARISON OF THE CRYSTALLOGRAPHIC STRUCTURES OF TWO CATALYTIC ANTIBODIES WITH ESTERASE ACTIVITY. J.MOL.BIOL. V. 282 1033 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEP H:214;
Valid;
none;
Ki = 27 nM
343.312 C15 H22 N O6 P CCCCC...
ZN H:212;
H:213;
L:214;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A0Q 2.3 Å NON-ENZYME: IMMUNE 29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE MUS MUSCULUS CATALYTIC ANTIBODY ESTERASE
Ref.: A COMPARISON OF THE CRYSTALLOGRAPHIC STRUCTURES OF TWO CATALYTIC ANTIBODIES WITH ESTERASE ACTIVITY. J.MOL.BIOL. V. 282 1033 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 180 families.
1 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCCC(NC(=....
70% Homology Family (166)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
2 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
3 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
4 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
5 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
6 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
7 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
8 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
9 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
10 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
11 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
12 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
13 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
14 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
15 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
16 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
17 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
18 3HNV - AXR BXY BXY BXX n/a n/a
19 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
20 2R2E - KDE C11 H18 O8 C=CCOC1(CC....
21 3SY0 - KDA KDO KDO n/a n/a
22 3OKL - KDA KDO n/a n/a
23 2R1Y Kd = 31 uM KDR KDO n/a n/a
24 2R2B - KDA KDO KDO n/a n/a
25 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
26 2R2H - KO2 C11 H18 O9 C=CCOC1(C(....
27 2R1X Kd = 16 uM KDD KDA n/a n/a
28 3BPC Kd = 16 uM KDB KDA n/a n/a
29 3OKK - KDA KDO n/a n/a
30 3OKE - KO2 C11 H18 O9 C=CCOC1(C(....
31 3OKN - KDO KDO KDA n/a n/a
32 3HZM Kd = 0.000003 M KDO C8 H14 O8 C1C(C(C(OC....
33 2R23 Kd = 190 uM KO1 KDA n/a n/a
34 1Q9W - KDO KDO KDO n/a n/a
35 3T65 - KDA KDO n/a n/a
36 2R1W Kd = 25 uM KDB KDA n/a n/a
37 3OKO - KDA KDO KDO n/a n/a
38 3HZV - KDA KDO KDO n/a n/a
39 4HGW Kd = 0.000003 M KTU KDO n/a n/a
40 3T4Y - KDO C8 H14 O8 C1C(C(C(OC....
41 3OKD - KDO C8 H14 O8 C1C(C(C(OC....
42 3T77 - KDA KDO n/a n/a
43 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
44 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
45 1EAP - HEP C15 H22 N O6 P CCCCC(NC(=....
46 3IF1 - NGA C8 H15 N O6 CC(=O)NC1C....
47 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
48 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
49 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
50 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
51 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
52 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
53 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
54 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
55 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
56 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
57 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
58 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
59 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
60 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
61 1XF2 - DT DT DT n/a n/a
62 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
63 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
64 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
65 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
66 1KN4 - PDE C13 H17 N2 O8 P CC(C(=O)O)....
67 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
68 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
69 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
70 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
71 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
72 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
73 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
74 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
75 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
76 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
77 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
78 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
79 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
80 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
81 1KEG - DT 64T DT DT n/a n/a
82 1EHL - 5HT DT n/a n/a
83 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
84 2OK0 Kd = 0.2 nM DT DC n/a n/a
85 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1C....
86 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1C....
87 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1C....
88 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)C2....
89 1CLY - FUC GAL NAG NON FUC n/a n/a
90 1ZLS - MAN MAN MAN MAN n/a n/a
91 3OAU - MAN MAN n/a n/a
92 1OP3 - MAN C6 H12 O6 C(C1C(C(C(....
93 3OAZ - 2M5 C8 H16 O6 CC(C1C(C(C....
94 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
95 3OAY - BDF C6 H12 O6 C1C(C(C(C(....
96 1ZLV - MAN MAN MAN MAN n/a n/a
97 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
98 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
99 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
100 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
101 1QYG - BCG C16 H19 N O4 CN1C2CCC1C....
102 1RIV - OBE C16 H19 N O5 C[NH+]1C2C....
103 1Q72 Kd = 0.000003 M COC C17 H21 N O4 CN1C2CCC1C....
104 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
105 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
106 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
107 1YNK - SC5 C18 H26 N4 O2 CC(c1ccccc....
108 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
109 1I7Z Kd = 0.4 uM COC C17 H21 N O4 CN1C2CCC1C....
110 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
111 3EYV - FUC GAL NDG FUC n/a n/a
112 2O5Z Kd = 110 mM ANO C19 H28 O2 CC12CCC(=O....
113 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
114 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
115 2AJX - TGN C16 H22 N O5 P CN1C2CCC1C....
116 2AJZ - ECG C10 H17 N O3 CN1C2CCC1C....
117 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
118 2AJV - COC C17 H21 N O4 CN1C2CCC1C....
119 2AJY - ECG C10 H17 N O3 CN1C2CCC1C....
120 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
121 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
122 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
123 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
124 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCOC1(C(....
125 1UM4 - SH4 C17 H19 N O4 P CC(c1ccccc....
126 1UM5 - SS1 C8 H10 O CC(c1ccccc....
127 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
128 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
129 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
130 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
131 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
132 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
133 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
134 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
135 1VPO Kd = 0.000003 M TES C19 H28 O2 CC12CCC3C(....
136 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
137 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
138 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
139 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
140 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
141 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
142 1JGU - HBC C20 H21 N O c1ccc(cc1)....
143 2DDQ - HRB C17 H27 N3 O5 CCCCCC1C(C....
144 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
145 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
146 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
147 1IGJ Kd = 0.1 nM DGX C41 H64 O14 CC1C(C(CC(....
148 1JGL Kd = 2 nM EST C18 H24 O2 CC12CCC3c4....
149 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
150 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCCC(NC(=....
151 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
152 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
153 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
154 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
155 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
156 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
157 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
158 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
159 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
160 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
161 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCOC2C....
162 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCOC2C....
163 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
164 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
165 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
166 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
50% Homology Family (195)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 1TJG - GLU LEU ASP LYS TRP ALA SER n/a n/a
2 1U93 - GLU GLN ASP LYS TRP ALA SER n/a n/a
3 1U8H - ALA LEU ASP LYS TRP ALA SER n/a n/a
4 1U8M - GLU LEU ASP LYS TYR ALA SER n/a n/a
5 1U8Q - GLU LEU GLU LYS TRP ALA SER n/a n/a
6 3IDJ - GLU LEU ASP ORN TRP ALA SER n/a n/a
7 2F5B - GLU LEU ASP LYS TRP ALA SER n/a n/a
8 1U92 - GLU ALA ASP LYS TRP GLN SER n/a n/a
9 1U8I - GLU LEU ASP LYS TRP ALA ASN n/a n/a
10 1U95 - GLU LEU ASP HIS TRP ALA SER n/a n/a
11 1U8J - GLU LEU ASP LYS TRP ALA GLY n/a n/a
12 3IDI - ALA LEU ASP LYS TRP GLN ASN n/a n/a
13 3IDN - GLU LEU ASP HOX TRP ALA SER n/a n/a
14 1U91 - GLU ASN ASP LYS TRP ALA SER n/a n/a
15 3IDG - ALA LEU ASP LYS TRP ASP n/a n/a
16 3IDM - GLU LEU ASP NRG TRP ALA SER n/a n/a
17 1U8K - LEU GLU LEU ASP LYS TRP ALA SER LEU n/a n/a
18 3HNT - AXR BXY BXY BXX n/a n/a
19 3HNV - AXR BXY BXY BXX n/a n/a
20 3HNS - AXR BXY BXY BXY BXX BXX n/a n/a
21 3HZK Kd = 30 uM KDA KDO n/a n/a
22 2R2E - KDE C11 H18 O8 C=CCOC1(CC....
23 3SY0 - KDA KDO KDO n/a n/a
24 3OKL - KDA KDO n/a n/a
25 2R1Y Kd = 31 uM KDR KDO n/a n/a
26 2R2B - KDA KDO KDO n/a n/a
27 2G5B - PRO THR SER SER GLU GLN ILE n/a n/a
28 2R2H - KO2 C11 H18 O9 C=CCOC1(C(....
29 2R1X Kd = 16 uM KDD KDA n/a n/a
30 3BPC Kd = 16 uM KDB KDA n/a n/a
31 3OKK - KDA KDO n/a n/a
32 3OKE - KO2 C11 H18 O9 C=CCOC1(C(....
33 3OKN - KDO KDO KDA n/a n/a
34 3HZM Kd = 0.000003 M KDO C8 H14 O8 C1C(C(C(OC....
35 2R23 Kd = 190 uM KO1 KDA n/a n/a
36 1Q9W - KDO KDO KDO n/a n/a
37 3T65 - KDA KDO n/a n/a
38 2R1W Kd = 25 uM KDB KDA n/a n/a
39 3OKO - KDA KDO KDO n/a n/a
40 3HZV - KDA KDO KDO n/a n/a
41 4HGW Kd = 0.000003 M KTU KDO n/a n/a
42 3T4Y - KDO C8 H14 O8 C1C(C(C(OC....
43 3OKD - KDO C8 H14 O8 C1C(C(C(OC....
44 3T77 - KDA KDO n/a n/a
45 3HZY Kd = 10 uM KDA KDO KDO n/a n/a
46 3QG6 ic50 = 0.73 nM TYR SER THR CYS TYR PHE ILE MET n/a n/a
47 2V17 - THR ASP HIS GLY ALA GLU n/a n/a
48 1EAP - HEP C15 H22 N O6 P CCCCC(NC(=....
49 3IF1 - NGA C8 H15 N O6 CC(=O)NC1C....
50 3IET Kd = 0.14 uM GLY THR LYS PRO PRO LEU GLU GLU LEU A2G n/a n/a
51 3PHQ - KDO C8 H14 O8 C1C(C(C(OC....
52 2HRP - MET SER LEU PRO GLY ARG TRP LYS PRO LYS n/a n/a
53 2HKF - LEU PRO GLY GLU GLU ASP LEU PRO GLY n/a n/a
54 1LO3 - AN1 C18 H16 O2 Cc1c2ccccc....
55 1LO0 - BC1 C19 H17 N3 O3 CN1c2ccccc....
56 1LO2 - OX1 C18 H16 O4 CC12c3cccc....
57 4M7J Kd = 0.781 uM KDA KDO KDO n/a n/a
58 2BMK Kd = 2.4 uM PDD C11 H17 N2 O7 P Cc1c(c(c(c....
59 1WC7 - PP3 C11 H17 N2 O7 P Cc1c(c(c(c....
60 1WCB Kd = 26 nM PE1 C14 H24 N3 O7 P Cc1c(c(c(c....
61 3BZ4 - EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM n/a n/a
62 3C6S - RAM RAM RAM GLC NAG RAM RAM RAM GLC NAG RAM n/a n/a
63 1MJ7 Kd = 4.5 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
64 1MH5 Kd = 0.61 nM HAL C23 H29 N2 O7 P c1ccc(cc1)....
65 1M7D Ka = 1700000 M^-1 RAM RAE MAG n/a n/a
66 1M7I Ka = 250000 M^-1 RAM RAM RAM NAG RAO n/a n/a
67 1PZ5 Kd = 4 uM MET ASP TRP ASN MET HIS ALA ALA n/a n/a
68 3I9G Kd = 1.1 nM S1P C18 H38 N O5 P CCCCCCCCCC....
69 1OAU Kd = 20 nM DNF SER n/a n/a
70 1A6W - NIP C14 H16 I N2 O6 c1c(cc(c(c....
71 1XF2 - DT DT DT n/a n/a
72 1F4X Kd = 2.6 uM MGS C12 H23 N O7 CC1C(C(C(C....
73 1AJ7 Kd = 135 uM NPE C11 H13 N O7 P c1cc(ccc1[....
74 1GAF Kd = 10 nM NPE C11 H13 N O7 P c1cc(ccc1[....
75 1YEC - PNB C13 H17 N2 O8 P c1cc(ccc1C....
76 1YEJ Kd = 35 nM PNF C16 H23 N2 O8 P c1cc(ccc1[....
77 1YEE - PNB C13 H17 N2 O8 P c1cc(ccc1C....
78 1KN4 - PDE C13 H17 N2 O8 P CC(C(=O)O)....
79 1YEF - PNC C14 H17 N3 O6 c1cc(ccc1C....
80 1YEG - BPN C7 H7 N O3 c1cc(ccc1C....
81 1YEK - NPO C6 H5 N O3 c1cc(ccc1[....
82 1YEI Kd = 35 nM PGG C12 H15 N2 O8 P c1cc(ccc1[....
83 1KN2 - PNE C13 H17 N2 O8 P CC(C(=O)O)....
84 2OMN - IPH C6 H6 O c1ccc(cc1)....
85 3CFD - SPB C19 H19 N O3 c1ccc(cc1)....
86 4JN2 - C24 C27 H29 N7 O3 CCOC(=O)CC....
87 3FO1 - BZH C12 H14 N4 O3 c1cc2c(cc1....
88 3FO0 - BZH C12 H14 N4 O3 c1cc2c(cc1....
89 3FO2 - BZH C12 H14 N4 O3 c1cc2c(cc1....
90 2C1P - FNZ C18 H15 F N4 O c1cc(ccc1C....
91 2YKL - NLD C17 H25 N3 O3 CCNC(=O)CC....
92 2YK1 Kd = 7.4 nM NCT C10 H14 N2 CN1CCCC1c2....
93 3DV4 - KDO C8 H14 O8 C1C(C(C(OC....
94 3DUU - KDO C8 H14 O8 C1C(C(C(OC....
95 3IFO - ASP ALA GLU PHE ARG HIS ASP n/a n/a
96 3IFL - ASP ALA GLU PHE ARG HIS ASP n/a n/a
97 1Y0L Kd ~ 1 nM HAN C14 H19 N3 O2 Cc1cc2c(cc....
98 1NGP - NPA C8 H7 N O5 c1cc(c(cc1....
99 1E4W Kd = 25 nM SER HIS PHE ASN GLU TYR GLU n/a n/a
100 1KEG - DT 64T DT DT n/a n/a
101 1EHL - 5HT DT n/a n/a
102 1F3D - TPM C12 H18 N3 c1cc(ccc1C....
103 2OK0 Kd = 0.2 nM DT DC n/a n/a
104 1MRF - DI C10 H13 N4 O7 P c1nc2c(n1C....
105 1MRE - GDP C10 H15 N5 O11 P2 c1nc2c(n1C....
106 1MRD - IDP C10 H14 N4 O11 P2 c1nc2c(n1C....
107 1C1E - ENH C10 H5 Cl6 N O2 CN1C(=O)C2....
108 1CLY - FUC GAL NAG NON FUC n/a n/a
109 1ZLS - MAN MAN MAN MAN n/a n/a
110 3OAU - MAN MAN n/a n/a
111 1OP3 - MAN C6 H12 O6 C(C1C(C(C(....
112 3OAZ - 2M5 C8 H16 O6 CC(C1C(C(C....
113 4RBP - KDO MAN MAN MAN MAN MAN n/a n/a
114 3OAY - BDF C6 H12 O6 C1C(C(C(C(....
115 1ZLV - MAN MAN MAN MAN n/a n/a
116 1CT8 Kd = 0.3 uM TAA C20 H21 Cl2 F3 N3 O8 P c1cc(ccc1C....
117 1CE1 - GLY THR SER SER PRO SER ALA ASP n/a n/a
118 1T66 - FLU C20 H12 O5 c1ccc(c(c1....
119 3GHB - LYS GLY VAL ARG ILE GLY PRO GLY GLN ALA n/a n/a
120 2W65 - ALA CIR GLY LEU THR GLY ARG HYP GLY n/a n/a
121 1QYG - BCG C16 H19 N O4 CN1C2CCC1C....
122 1RIV - OBE C16 H19 N O5 C[NH+]1C2C....
123 1Q72 Kd = 0.000003 M COC C17 H21 N O4 CN1C2CCC1C....
124 1RIU - RBE C15 H17 N O4 c1ccc(cc1)....
125 3V0W Kd = 32 nM PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO n/a n/a
126 2CGR Kd = 53 nM GAS C23 H20 N4 O2 c1ccc(cc1)....
127 1YNK - SC5 C18 H26 N4 O2 CC(c1ccccc....
128 3FN0 Kd ~ 40 uM TRP ASN TRP PHE ASP ILE THR ASN LYS n/a n/a
129 1I7Z Kd = 0.4 uM COC C17 H21 N O4 CN1C2CCC1C....
130 1S3K Kd = 0.24 uM FUC GAL NDG FUC n/a n/a
131 3EYV - FUC GAL NDG FUC n/a n/a
132 2O5Z Kd = 110 mM ANO C19 H28 O2 CC12CCC(=O....
133 25C8 - GEP C19 H29 N2 O3 C[N+]1(CCC....
134 35C8 - NOX C18 H26 N2 O4 c1cc(ccc1C....
135 2AJX - TGN C16 H22 N O5 P CN1C2CCC1C....
136 2AJZ - ECG C10 H17 N O3 CN1C2CCC1C....
137 2AK1 - BEZ C7 H6 O2 c1ccc(cc1)....
138 2AJV - COC C17 H21 N O4 CN1C2CCC1C....
139 2AJY - ECG C10 H17 N O3 CN1C2CCC1C....
140 1FL3 Kd = 0.16 uM SPB C19 H19 N O3 c1ccc(cc1)....
141 3CFB - SPB C19 H19 N O3 c1ccc(cc1)....
142 1UB5 - SPB C19 H19 N O3 c1ccc(cc1)....
143 1A4K Kd = 0.01 uM FRA C21 H23 N3 O7 CC(=O)Nc1c....
144 1IND Ka = 11000000000 M^-1 EOT C20 H28 N4 O9 S c1cc(ccc1C....
145 3IJH Kd = 100 uM KO2 C11 H18 O9 C=CCOC1(C(....
146 1UM4 - SH4 C17 H19 N O4 P CC(c1ccccc....
147 1UM5 - SS1 C8 H10 O CC(c1ccccc....
148 3UO1 - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
149 3V52 - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
150 3UYR - GLU PRO GLN ALA PRO TRP MET GLU n/a n/a
151 3V4U - GLU PRO GLN ALA PRO TRP MET GLU GLN n/a n/a
152 1ZEA Kd = 6 uM DVA DPR GLY DSN DGN DHI DTY DAS DSN n/a n/a
153 4OCX Kd = 3.6 pM MT1 C20 H23 N8 O5 CN(Cc1cnc2....
154 1MEX - RAC C18 H18 N2 O5 CN(C)C(=O)....
155 1FLR Kd = 0.1 nM FLU C20 H12 O5 c1ccc(c(c1....
156 1VPO Kd = 0.000003 M TES C19 H28 O2 CC12CCC3C(....
157 1C5C Kd = 110 nM TK4 C12 H11 N O7 S2 CC(=O)Nc1c....
158 2PCP Kd = 2 nM 1PC C17 H25 N c1ccc(cc1)....
159 3QCU - NKN C17 H35 O7 P CCCCCCCCCC....
160 4ONF - ASP ALA GLU PHE ARG HIS ASP n/a n/a
161 1D6V Kd = 670 nM HOP C23 H27 N O4 c1ccc(cc1)....
162 1Q0Y Kd ~ 1 nM MOI C17 H19 N O3 CN1CCC23c4....
163 1KEL Kd = 52 nM AAH C13 H19 N2 O7 P c1cc(ccc1C....
164 1JGU - HBC C20 H21 N O c1ccc(cc1)....
165 2DDQ - HRB C17 H27 N3 O5 CCCCCC1C(C....
166 3TWC - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
167 3TV3 - AML MAN MAN MAN MAN MAN MAN MAN MAN n/a n/a
168 3O6M Kd = 33 nM PRO LYS LEU GLU PRO TRP LYS HIS PRO n/a n/a
169 2DQU Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
170 2DQT Ki = 50 nM CPD C28 H36 Cl2 F3 N6 O8 P CCNC(=O)N(....
171 1MFB - GLA MAN RAM RAM ABE MAN GLA n/a n/a
172 1MFD Kd = 4.9 uM GLA MMA ABE n/a n/a
173 1MFC - GLA MAN RAM ABE n/a n/a
174 1MFE - GLA MAN ABE n/a n/a
175 1IGJ Kd = 0.1 nM DGX C41 H64 O14 CC1C(C(CC(....
176 1JGL Kd = 2 nM EST C18 H24 O2 CC12CCC3c4....
177 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
178 1UZ8 Kd = 10.75 uM MAG FUC GAL n/a n/a
179 1A0Q Ki = 27 nM HEP C15 H22 N O6 P CCCCC(NC(=....
180 1RUM - BEZ C7 H6 O2 c1ccc(cc1)....
181 1ND0 - DP4 C14 H23 N O Si C[N+]1(CCC....
182 1RU9 - BEZ C7 H6 O2 c1ccc(cc1)....
183 1RUL - BEZ C7 H6 O2 c1ccc(cc1)....
184 3LEX Kd = 6.44 nM LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
185 3LEY - LEU LEU GLU LEU ASP LYS TRP ALA NH2 n/a n/a
186 1RUP - BEZ C7 H6 O2 c1ccc(cc1)....
187 1RUK - BEZ C7 H6 O2 c1ccc(cc1)....
188 1NCW - BEZ C7 H6 O2 c1ccc(cc1)....
189 1RUA - BEZ C7 H6 O2 c1ccc(cc1)....
190 2Z93 Kd = 11.1 nM END C17 H24 O7 C1C=CCOC2C....
191 2Z92 Kd = 66.7 nM ENE C22 H30 O8 C1C=CCOC2C....
192 2R0W - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
193 3EYS Kd = 3000 nM PCA PHE ARG HIS ASP SER n/a n/a
194 2IPU - ASP ALA GLU PHE ARG HIS ASP SER n/a n/a
195 2R0Z Kd = 3400 nM ALA LYS PHE ARG HIS ASP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HEP; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HEP 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A0Q; Ligand: HEP; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 1a0q.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 1JN2 SFP 0.002333 0.47616
2 1JN2 SFP 0.002333 0.47616
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