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Receptor
PDB id Resolution Class Description Source Keywords
2FTB 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AXOLOTL (AMBYSTOMA MEXICANUM) LIVER BILE ACID-BINDING PROTEIN BOUND TO OLEIC ACID AMBYSTOMA MEXICANUM LIVER BILE ACID-BINDING PROTEIN LIVER BASIC FATTY ACID- BINDING PROTEIN AXOLOTL OLEIC ACID BABP LB-FABP LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AXOLOTL (AMBYSTOMA MEXICANUM) LIVER BILE ACID-BINDING PROTEIN BOUND TO CHOLIC AND OLEIC ACID PROTEINS V. 64 79 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
OLA A:130;
Valid;
none;
submit data
282.461 C18 H34 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FTB 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AXOLOTL (AMBYSTOMA MEXICANUM) LIVER BILE ACID-BINDING PROTEIN BOUND TO OLEIC ACID AMBYSTOMA MEXICANUM LIVER BILE ACID-BINDING PROTEIN LIVER BASIC FATTY ACID- BINDING PROTEIN AXOLOTL OLEIC ACID BABP LB-FABP LIPID BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF AXOLOTL (AMBYSTOMA MEXICANUM) LIVER BILE ACID-BINDING PROTEIN BOUND TO CHOLIC AND OLEIC ACID PROTEINS V. 64 79 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
2 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
2 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
3 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
4 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
5 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
6 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
50% Homology Family (113)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1G74 Kd = 0.3 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3FR5 ic50 = 0.069 uM I4A C22 H22 N2 O3 c1cc(cc(c1....
3 1LIE - PPI C3 H6 O2 CCC(=O)O
4 3FR4 ic50 = 0.049 uM F8A C21 H18 F3 N O2 c1ccc(c(c1....
5 2HNX - PLM C16 H32 O2 CCCCCCCCCC....
6 1ADL Kd = 4.4 uM ACD C20 H32 O2 CCCCCC=C/C....
7 5EDB Ki = 0.1 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
8 1TOU ic50 = 1 uM B1V C12 H14 F3 N3 O2 S c1c(nc(nc1....
9 1LID - OLA C18 H34 O2 CCCCCCCCC=....
10 1LIF - STE C18 H36 O2 CCCCCCCCCC....
11 3JSQ - HNE C9 H16 O2 CCCCC[C@H]....
12 1TOW ic50 = 0.57 uM CRZ C16 H15 N O2 c1ccc2c(c1....
13 5EDC Ki = 0.022 uM 5M7 C21 H19 Cl N2 O2 c1ccc(cc1)....
14 5HZ8 Ki = 0.016 uM 65Z C21 H18 Cl2 N2 O2 c1ccc(cc1)....
15 3HK1 Ki = 0.67 uM B64 C14 H11 N O5 S2 COC(=O)c1c....
16 1LIC - PPI C3 H6 O2 CCC(=O)O
17 2NNQ Ki < 2 nM T4B C31 H26 N2 O3 CCc1c(c(nn....
18 3FR2 ic50 = 0.59 uM 8CA C20 H19 N O2 c1ccc(cc1)....
19 2ANS Kd = 1.2 uM 2AN C16 H13 N O3 S c1ccc(cc1)....
20 5HZ6 Ki = 0.016 uM 65Y C22 H22 Cl N O2 CC(C)c1ccc....
21 5L8O - CHD C24 H40 O5 C[C@H](CCC....
22 5L8N Kd = 31 uM 6RQ C9 H11 N3 Cc1cc2c(cc....
23 3WBG - 2AN C16 H13 N O3 S c1ccc(cc1)....
24 5HZ5 Ki = 0.086 uM 65X C21 H19 Cl N6 c1ccc(cc1)....
25 5UR9 Ki = 0.9 uM 8KS C28 H22 O4 c1ccc(cc1)....
26 1B56 - PLM C16 H32 O2 CCCCCCCCCC....
27 5D4A - 57Q C17 H15 N O2 c1ccc(cc1)....
28 5Y0F Ki = 0.21 uM 8JO C18 H14 F N O5 S COc1ccc(c2....
29 5D47 Ki = 0.1 uM L19 C26 H24 N2 O3 COc1cnccc1....
30 5Y12 Ki = 0.59 uM 8JX C16 H19 N O5 S COc1ccc(c2....
31 5D48 Ki = 0.03 uM L96 C28 H31 N3 O3 Cc1c(c(n[n....
32 5D45 Ki = 0.12 uM 57P C26 H23 N O2 c1ccc(cc1)....
33 5Y0X Ki = 7.75 uM 8JR C18 H14 F N O5 S COc1ccc(c2....
34 5Y0G Ki = 0.2 uM 8JL C18 H14 F N O5 S COc1ccc(c2....
35 5Y13 Ki = 1.16 uM 8K0 C15 H16 Br N O4 S c1ccc2c(c1....
36 5URA Ki = 0.4 uM 8KS C28 H22 O4 c1ccc(cc1)....
37 1FDQ Kd = 53.4 nM HXA C22 H32 O2 CCC=C/CC=C....
38 2G78 - REA C20 H28 O2 CC1=C(C(CC....
39 2CBS Ki = 6 nM R13 C23 H30 O2 CC(=C/C(=O....
40 1CBS - REA C20 H28 O2 CC1=C(C(CC....
41 2FR3 Kd = 2 nM REA C20 H28 O2 CC1=C(C(CC....
42 3CWK Kd = 250 nM REA C20 H28 O2 CC1=C(C(CC....
43 3CBS Ki = 58 nM R12 C20 H24 O3 Cc1cc(c(c(....
44 2G79 Kd = 120 nM RET C20 H28 O CC1=C(C(CC....
45 2G7B - AZE C20 H30 CC=C(/C)C=....
46 1CBQ - RE9 C20 H28 O2 CC(=C/C(=O....
47 4TKB - DAO C12 H24 O2 CCCCCCCCCC....
48 4TJZ - DKA C10 H20 O2 CCCCCCCCCC....
49 1HMT Kd = 1.64 uM STE C18 H36 O2 CCCCCCCCCC....
50 4TKJ - PLM C16 H32 O2 CCCCCCCCCC....
51 5HZ9 Ki = 0.093 uM 5M8 C17 H12 Cl N O2 Cc1c(c(c2c....
52 4WBK - STE C18 H36 O2 CCCCCCCCCC....
53 3WVM - STE C18 H36 O2 CCCCCCCCCC....
54 4TKH - MYR C14 H28 O2 CCCCCCCCCC....
55 1HMR Kd = 0.28 uM ELA C18 H34 O2 CCCCCCCCC=....
56 1HMS Kd = 0.43 uM OLA C18 H34 O2 CCCCCCCCC=....
57 2HMB - PLM C16 H32 O2 CCCCCCCCCC....
58 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
59 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
60 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
61 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
62 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
63 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
64 3STM - PLM C16 H32 O2 CCCCCCCCCC....
65 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
66 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
67 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
68 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
69 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
70 1OPB Kd = 50 nM RET C20 H28 O CC1=C(C(CC....
71 2Q9S - EIC C18 H32 O2 CCCCCC=C/C....
72 2QM9 Kd = 17 nM TDZ C24 H27 N O5 S Cc1c(c2c(c....
73 2QO4 - CHD C24 H40 O5 C[C@H](CCC....
74 2QO6 - CHD C24 H40 O5 C[C@H](CCC....
75 2QO5 - CHD C24 H40 O5 C[C@H](CCC....
76 1TW4 - CHD C24 H40 O5 C[C@H](CCC....
77 5BVT - PAM C16 H30 O2 CCCCCCC=C/....
78 3ELZ - CHD C24 H40 O5 C[C@H](CCC....
79 3EM0 - CHD C24 H40 O5 C[C@H](CCC....
80 4AZQ - G2A C23 H46 O4 CCCCCCCCCC....
81 4AZP Ki = 1.26 uM A9M C22 H45 N O2 CCCCCCCCCC....
82 5LJG - PLM C16 H32 O2 CCCCCCCCCC....
83 5LJC Kd = 65 nM RTL C20 H30 O CC1=C(C(CC....
84 5HBS Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
85 5H8T Kd = 18.5 nM RTL C20 H30 O CC1=C(C(CC....
86 5LJE Kd = 250 nM RTL C20 H30 O CC1=C(C(CC....
87 5LJD Kd = 70 nM RTL C20 H30 O CC1=C(C(CC....
88 5LJB Kd = 4.5 nM RTL C20 H30 O CC1=C(C(CC....
89 1CRB - RTL C20 H30 O CC1=C(C(CC....
90 5HA1 Kd = 64.1 nM RNE C20 H31 N CC1=C(C(CC....
91 4QZU Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
92 4QYN Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
93 2RCT - RTL C20 H30 O CC1=C(C(CC....
94 4QZT Kd = 2 nM RTL C20 H30 O CC1=C(C(CC....
95 1VYF Kd = 9 nM OLA C18 H34 O2 CCCCCCCCC=....
96 1VYG Kd = 10 nM ACD C20 H32 O2 CCCCCC=C/C....
97 2FT9 - CHD C24 H40 O5 C[C@H](CCC....
98 2FTB - OLA C18 H34 O2 CCCCCCCCC=....
99 1ICM - MYR C14 H28 O2 CCCCCCCCCC....
100 1ICN - OLA C18 H34 O2 CCCCCCCCC=....
101 2IFB Ki = 3.6 uM PLM C16 H32 O2 CCCCCCCCCC....
102 5BVS - EIC C18 H32 O2 CCCCCC=C/C....
103 6EW4 - PLM C16 H32 O2 CCCCCCCCCC....
104 2WUT - PLM C16 H32 O2 CCCCCCCCCC....
105 4BVM - PLM C16 H32 O2 CCCCCCCCCC....
106 6EW2 - PLM C16 H32 O2 CCCCCCCCCC....
107 4D6B - PLM C16 H32 O2 CCCCCCCCCC....
108 6EW5 - PLM C16 H32 O2 CCCCCCCCCC....
109 5N4Q - PLM C16 H32 O2 CCCCCCCCCC....
110 4D6A - PLM C16 H32 O2 CCCCCCCCCC....
111 5N4P - PLM C16 H32 O2 CCCCCCCCCC....
112 5N4M - PLM C16 H32 O2 CCCCCCCCCC....
113 1KQW - RTL C20 H30 O CC1=C(C(CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLA; Similar ligands found: 56
No: Ligand ECFP6 Tc MDL keys Tc
1 OLA 1 1
2 NER 1 1
3 ELA 1 1
4 VCA 0.939394 1
5 PAM 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 DCR 0.71875 0.954545
9 F15 0.71875 0.954545
10 EW8 0.71875 0.954545
11 X90 0.71875 0.954545
12 TDA 0.71875 0.954545
13 DKA 0.71875 0.954545
14 STE 0.71875 0.954545
15 MYR 0.71875 0.954545
16 11A 0.71875 0.954545
17 DAO 0.71875 0.954545
18 KNA 0.71875 0.954545
19 PLM 0.71875 0.954545
20 F23 0.71875 0.954545
21 OCA 0.6875 0.954545
22 ODD 0.675 0.956522
23 RCL 0.625 0.88
24 LNL 0.613636 0.869565
25 SHV 0.606061 0.909091
26 KTC 0.605263 0.84
27 3X1 0.564103 0.863636
28 ODT 0.555556 0.826087
29 T25 0.54717 0.709677
30 AZ1 0.53125 0.615385
31 10X 0.529412 0.645161
32 10Y 0.529412 0.645161
33 6NA 0.529412 0.863636
34 OLB 0.519231 0.617647
35 OLC 0.519231 0.617647
36 243 0.519231 0.846154
37 MVC 0.490566 0.617647
38 ACD 0.488889 0.956522
39 VA 0.478261 0.692308
40 3LA 0.47619 0.769231
41 78M 0.471698 0.617647
42 78N 0.471698 0.617647
43 EOD 0.468085 0.677419
44 MPG 0.45283 0.617647
45 14V 0.444444 0.714286
46 LEA 0.441176 0.772727
47 T24 0.438596 0.769231
48 BRC 0.435897 0.64
49 14U 0.431818 0.678571
50 M12 0.428571 0.833333
51 UNA 0.421053 0.636364
52 OCD 0.421053 0.636364
53 8YP 0.421053 0.636364
54 D0G 0.4 0.913043
55 BNV 0.4 0.913043
56 BMJ 0.4 0.913043
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FTB; Ligand: OLA; Similar sites found with APoc: 214
This union binding pocket(no: 1) in the query (biounit: 2ftb.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4XCB AKG None
2 4ZSI 4R1 None
3 6CB2 OLC None
4 2Z77 HE7 None
5 4NPL AKG None
6 4ZSI GLP None
7 6A0S NDP None
8 5B09 4MX None
9 4K55 H6P None
10 6D61 4AA None
11 5EZU MYR None
12 1H0A I3P None
13 1UO5 PIH None
14 3KFF XBT None
15 3KFF ZBT None
16 1RV1 IMZ None
17 3AQT RCO None
18 5K21 6QF None
19 4HN1 TYD None
20 5KK4 44E None
21 1JH7 UVC None
22 1FHX 4IP None
23 4XCB HY0 None
24 5H9P TD2 None
25 4CQK PIO None
26 3ZO7 K6H None
27 5N8V KZZ None
28 5BU3 4W9 None
29 5V3D FCN None
30 5JSP DQY None
31 5N2D 8J8 None
32 4UCC ZKW None
33 4J8T DOG None
34 3RGA LSB None
35 1OGZ EQU None
36 1U6R IOM 2.4
37 3VV1 GAL FUC 2.4
38 4LH7 NMN 2.4
39 3B12 FAH 2.4
40 3GM5 CIT 2.4
41 1QY1 PRZ 2.4
42 3W21 AKG 2.4
43 1OS7 AKG 2.4
44 5HWV MBN 2.4
45 1QPR PHT 2.4
46 3GFZ FMN 2.4
47 5OO5 UUA 2.41935
48 6GNO XDI 3.2
49 3O01 DXC 3.2
50 3QRC SCR 3.2
51 1NYW DAU 3.2
52 3KP6 SAL 3.2
53 5TFZ 7BC 3.2
54 6CCU PRO HIS ARG VAL 3.2
55 3BXO UPP 3.2
56 3N8K D1X 3.2
57 3PH4 AOS 3.2
58 5DQ8 FLF 3.2
59 1UPR 4IP 3.25203
60 1X8D RNS 3.84615
61 1P0Z FLC 4
62 3TL1 JRO 4
63 1OFL NGK GCD 4
64 1GT4 UNA 4
65 2V8W MGO 4
66 5C79 PBU 4
67 5D3X 4IP 4
68 5GNX BGC 4
69 2J83 BAT 4.8
70 4UOZ GLA 4.8
71 4U0W 16G 4.8
72 5EO8 TFU 4.8
73 2YIP YIO 4.8
74 2CDO GAL AAL GAL AAL GAL AAL 4.8
75 1C5C TK4 4.8
76 4XOE KGM 4.8
77 2BMB PMM 4.8
78 3AGC RCC 4.8
79 5XEG AKG 4.8
80 4PBG BGP 4.8
81 1DZT TPE 4.8
82 1NKI PPF 4.8
83 3QP8 HL0 4.8
84 5CJF 520 4.8
85 5H5A 6OU 4.8
86 4XO8 KGM 4.8
87 1VRP IOM 5.6
88 4ZU5 THM 5.6
89 1UMZ BGC BGC XYS BGC XYS GAL 5.6
90 5EZ1 ICB 5.6
91 5XQL C2E 5.6
92 3B00 16A 5.6
93 4RW3 PLM 5.6
94 6BVM EBV 5.6
95 6BVK EAV 5.6
96 3LJU IP9 5.6
97 4RYV ZEA 5.6
98 4HK8 XYP XYP XYP XYP XYP XYP 5.6
99 1Y2F WAI 5.6
100 6AP8 BNY 5.6
101 6BVJ EAS 5.6
102 6BVL EBY 5.6
103 6D5H FV7 5.6
104 1SDW IYT 5.6
105 4M51 BEZ 5.6
106 5C3R AKG 5.6
107 5C3R HMU 5.6
108 4AZC NGW 5.6
109 4GQP B40 6.0241
110 3N7S 3N7 6.08696
111 2P7Q GG6 6.4
112 4MGA 27L 6.4
113 5AAN XOC 6.4
114 6F9G PUT 6.4
115 6EOM ALA LYS 6.4
116 3FSY SCA 6.4
117 1GP6 SIN 6.4
118 1GP6 DH2 6.4
119 2BP1 FLC 6.4
120 2GWH PCI 6.4
121 3WDX BGC BGC GLC 6.4
122 1GP6 QUE 6.4
123 5TZO 7V7 6.4
124 2Y2B AH0 6.4
125 5NGL NOJ BGC 6.4
126 4F06 PHB 7.2
127 5C1M OLC 7.2
128 5N0L ILE 7.2
129 1F5F DHT 7.2
130 5L6G XYP 7.2
131 4QDC ASD 7.2
132 2HZL PYR 7.2
133 5VGS 9A4 7.2
134 4UHL VFV 7.2
135 5W7B MYR 7.2
136 5D9G GLU ASN LEU TYR PHE GLN 7.2
137 5XQW 8EU 7.2
138 3MI3 LYS 7.2
139 1KDK DHT 7.2
140 4MPO AMP 7.2
141 5CX8 TG6 8
142 1DTL BEP 8
143 4IE6 UN9 8
144 2Z5Y HRM 8
145 5GP0 GPP 8
146 1VKF CIT 8
147 4Y3O OGA 8
148 2A1X AKG 8
149 5KEW 6SB 8.51064
150 2OVD DAO 8.8
151 4UBS DIF 8.8
152 4RF7 ARG 8.8
153 6E08 NAP 8.8
154 2R0D 4IP 8.8
155 2R09 4IP 8.8
156 1YAA MAE 9.6
157 4KYS VIB 9.6
158 1FUR MLT 9.6
159 2DKD NG1 9.6
160 4OGQ 7PH 10.4
161 4JGP PYR 10.4
162 3NB0 G6P 10.4
163 4RLT FSE 10.4
164 5LXB 7A9 10.4
165 5TPV TYD 11.2
166 1Q7E MET 11.2
167 4GVF NAG 11.2
168 4GVF NDG 11.2
169 2VFT SOR 11.2
170 3O2K DST 11.2
171 4KBA 1QM 11.2
172 3RV5 DXC 11.236
173 1T0S BML 11.6279
174 4O4Z N2O 12
175 1QKQ MAN 12
176 4KAX 4IP 12
177 2WA4 069 12
178 3K4Z CBI 12
179 4B7E OGA 12
180 3NNT DQA 12
181 4H2W AMP 12
182 5UC4 83S 12.8
183 1GJW GLC 12.8
184 4LIT AKG 13.6
185 1U0A BGC BGC BGC BGC 13.6
186 4D5B ACX 13.6
187 3JZ0 CLY 13.6
188 4IAW LIZ 14.4
189 3FXU TSU 15.2
190 3FW9 SLX 15.2
191 1ZM1 BGC BGC BGC 15.2
192 4YSX E23 15.2
193 1A0J BEN 15.2
194 1I7M PUT 16.8
195 3DZ6 PUT 16.8
196 2ZX7 ZX7 16.8
197 2EPN NGT 16.8
198 3WJO IPE 17.6
199 5KOD IAC 17.6
200 1OGX EQU 18.4
201 5AIG VPR 18.4
202 2DIO EOD 18.4
203 4JH6 FCN 19.2
204 1H4H XYP XYS XYP 19.2
205 1FAO 4IP 20
206 1Z03 OCH 20
207 2WHP HI6 20
208 5NBP BGC BGC BGC 22.4
209 5L2R MLA 24.8
210 4D06 NAR 26.4
211 1ZOY UQ1 28
212 3TTY GLA 28
213 3QPB URA 31.2
214 5XNA SHV 49.6
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