Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02690518
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
116 | 7-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL- 2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5- DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWJ | 0.78 | |
CBB | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.71 | |
IMN | INDOMETHACIN | A | 2BXM | 0.72 | |
IMN | INDOMETHACIN | A | 3FO7 | 0.72 | |
IMN | INDOMETHACIN | A,B,C,D | 1Z9H | 0.72 | |
IMN | INDOMETHACIN | A | 2BXQ | 0.72 | |
IMN | INDOMETHACIN | A,B,C,D | 4COX | 0.72 | |
IMN | INDOMETHACIN | A | 2ALT | 0.72 | |
IMN | INDOMETHACIN | A | 2OTH | 0.72 | |
IMN | INDOMETHACIN | A,B | 2DM6 | 0.72 | |
IMN | INDOMETHACIN | A | 1S2A | 0.72 | |
IMN | INDOMETHACIN | A | 2ZB8 | 0.72 | |
IMN | INDOMETHACIN | A | 3HWZ | 0.72 | |
IMN | INDOMETHACIN | A | 2BXK | 0.72 | |
340 | 5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE- 4,7-DIONE | A,B,C,D | 1KBO | 0.72 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.73 | |
PQQ | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.73 | |
35A | N-[(5R,14R)-5-AMINO-5,14-DIMETHYL- 4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA- 1(21),7(22),8,10,17,19-HEXAEN-19- YL]-N-METHYLMETHANESULFONAMIDE | A | 2PH8 | 0.7 | |
NA4 | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.73 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.74 | |
IMM | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.74 | |
368 | (1R)-2-{[AMINO(IMINO)METHYL]AMINO}- 1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE | A | 1ZLR | 0.7 | |
I3N | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.72 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.72 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 3PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 6PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RY5 | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RZH | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | L,M,R,S | 1RZZ | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | L,M,R,S | 1S00 | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2JBL | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1VRN | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 7PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1UMX | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1R2C | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 3D38 | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 2I5N | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 5PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M | 1PRC | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | H,L,M | 1RVJ | 0.7 | |
BPB | BACTERIOPHEOPHYTIN B | C,H,L,M,U | 1DXR | 0.7 | |
ICO | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.7 | |
DPY | A,B | 1JES | 0.76 | ||
3HM | 5-hydroxy-6-methylpyridine-3-carboxylic acid | A,B | 3GMC | 0.71 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.76 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RG5 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWT | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | 1,2,3,5,6,7, 8,A,B,D,E,F, G,H,I,J,K,L, M,N,P,R,S,T, U,V,W,Y | 1PYH | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | A,B,C | 1Z9K | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXK | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RY5 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RZH | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | C,H,L,M | 1EYS | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWS | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 4RCR | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1K6N | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1YF6 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX5 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTS | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | C | 1E14 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTA | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PST | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1KBY | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | C,H,L,M | 1L9B | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 2RCR | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PCR | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1M3X | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HJ6 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DS8 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1FNQ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXJ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1QOV | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DU3 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX4 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1AIJ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,N,O | 1AIG | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RGN | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGX | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWV | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RQK | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DV6 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWW | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1RZZ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,R,S | 1S00 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HG3 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UX3 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1OGV | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DUQ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | A,B | 1Z9J | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2GNU | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | C | 1E6D | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1MPS | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M,X | 2UXM | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1RVJ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UXL | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | C,D,L,M,R,S | 1L9J | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 2JJ0 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JH0 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2GMR | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DU2 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1PSS | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HG9 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HIT | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2JIY | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2UWU | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGZ | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2J8C | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M,R,S,T | 1DV3 | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DSY | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1F6N | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1FNP | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 1K6L | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HHK | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGW | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2J8D | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1YST | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 3DTR | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | L,M | 1JGY | 0.7 | |
BPH | BACTERIOPHEOPHYTIN A | H,L,M | 2HH1 | 0.7 | |
BRF | A | 1UUO | 0.77 | ||
225 | FELODIPINE | A | 2NNJ | 0.82 | |
NTM | QUINOLINIC ACID | A | 3C2O | 0.75 | |
NTM | QUINOLINIC ACID | A,B | 1QAP | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C,D,E,F | 1QPQ | 0.75 | |
NTM | QUINOLINIC ACID | A,B,C | 2B7N | 0.75 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.76 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.76 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.76 | |
ONO | 2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)- 6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL- 2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID | A | 2AYW | 0.71 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
ARH | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.74 | |
C80 | (2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)- 5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1- BENZYL-1H-INDOLE-3-CARBOXYLATE | C,O | 2V11 | 0.7 | |
LG2 | 6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8- TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE- 3-CARBOXYLIC ACID | A,B,C,D | 1H9U | 0.79 | |
550 | methyl (1R,2S)-2-(hydroxycarbamoyl)- 1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate | A,B | 3EDZ | 0.7 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.7 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.77 | |
238 | A | 2PRH | 0.73 | ||
F8A | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.71 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PC2 | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B,C,D | 1ARZ | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PE7 | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A | 2PES | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1C3V | 0.72 | |
PDC | PYRIDINE-2,6-DICARBOXYLIC ACID | A,B | 1P9L | 0.72 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.77 | |
E09 | 3-HYDROXYMETHYL-5-AZIRIDINYL-1METHYL- 2-[1H-INDOLE-4,7-DIONE]-PROPANOL | A,B,C,D | 1GG5 | 0.72 | |
NIO | NICOTINIC ACID | A | 1JHQ | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5L | 0.71 | |
NIO | NICOTINIC ACID | A | 2F7F | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5K | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHY | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1FSL | 0.71 | |
NIO | NICOTINIC ACID | A | 1L5M | 0.71 | |
NIO | NICOTINIC ACID | A | 1LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHO | 0.71 | |
NIO | NICOTINIC ACID | A | 3CI8 | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICU | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D,E,F, G,H | 3HRD | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHA | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHV | 0.71 | |
NIO | NICOTINIC ACID | A | 1L4N | 0.71 | |
NIO | NICOTINIC ACID | A | 2LH6 | 0.71 | |
NIO | NICOTINIC ACID | A | 1D0V | 0.71 | |
NIO | NICOTINIC ACID | A,B,C,D | 1ICV | 0.71 | |
NIO | NICOTINIC ACID | A,B | 1ICR | 0.71 | |
NIO | NICOTINIC ACID | A | 1JHR | 0.71 | |
D1G | N,N-DIMETHYL(5-(PYRIDIN-3-YL)FURAN- 2-YL)METHANAMINE | A,B,C,D | 2FDU | 0.7 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 1C8L | 0.78 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 2AMV | 0.78 | |
BIN | 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM | A | 3AMV | 0.78 | |
893 | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)- 6-ETHOXYPYRIDINE-2-CARBOXAMIDE | A,B | 2H96 | 0.7 |