Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02281932
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 |
ICO![]() | 1H-INDOLE-3-CARBOXYLIC ACID | L | 2PIP | 0.73 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A | 1OKZ | 0.73 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A,C | 1PKD | 0.73 | ![]() |
UCN![]() | 7-HYDROXYSTAUROSPORINE | A | 1NVQ | 0.73 | ![]() |
VX3![]() | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.74 | ![]() |
RSS![]() | 5-METHYL-3-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA- 12(19),13,15,17-TETRAEN-10-YLCARBAMOYL)- HEXANOIC ACID | A,B | 1MMP | 0.7 | ![]() |
CRR![]() | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID | A | 2Z3U | 0.71 | ![]() |
HR1![]() | (3R,5R)-7-[1-(4-FLUOROPHENYL)-3- ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO- 3H-PYRROLO[2,3-C]QUINOLIN-2-YL]- 3,5-DIHYDROXYHEPTANOIC ACID | A,B,C,D | 2Q6C | 0.7 | ![]() |
330![]() | 9-HYDROXY-6-(3-HYDROXYPROPYL)-4- (2-METHOXYPHENYL)PYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE | A | 2IO6 | 0.71 | ![]() |
8CA![]() | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.79 | ![]() |
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 | 0.76 | ![]() |
KAW![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan | A | 3BKL | 0.71 | ![]() |
IDA![]() | (2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID | A,B | 1OXL | 0.71 | ![]() |
I4A![]() | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.78 | ![]() |
826![]() | 1,3,4,9-TETRAHYDRO-2-(HYDROXYBENZOYL)- 9-[(4-HYDROXYPHENYL)METHYL]-6-METHOXY- 2H-PYRIDO[3,4-B]INDOLE | A,B | 1I30 | 0.73 | ![]() |
F8A![]() | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid | A | 3FR4 | 0.77 | ![]() |
VRS![]() | VIRGINIAMYCIN S1 | 0,1,2,3,9,A, B,C,H,J,K,L, M,N,O,Q,R,S, T,U,Y,Z | 1YIT | 0.7 | ![]() |
BRF![]() | A | 1UUO | 0.72 | ![]() | |
JTP![]() | N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE | A,B | 2DXS | 0.73 | ![]() |
I3N![]() | 1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID | A | 1DCY | 0.7 | ![]() |
6IN![]() | 4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID | A | 1DB5 | 0.71 | ![]() |
BRE![]() | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.73 | ![]() |
XDR![]() | hexyl (5S,6R,8R)-6-hydroxy-5-methyl- 13-oxo-5,6,7,8-tetrahydro-13H-5,8- epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4- jkl]cyclopenta[e]-as-indacene-6- carboxylate | A,B | 3F69 | 0.7 | ![]() |
7HI![]() | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)- 2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol- 1(4H)-yl]-3,5-dihydroxyheptanoic acid | A,B,C,D | 3CD5 | 0.71 | ![]() |
OAI![]() | 6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID | A | 1C83 | 0.71 | ![]() |
3HI![]() | (3R,5R)-7-[2-(4-fluorophenyl)-4- [(2-hydroxyphenyl)carbamoyl]-5- (1-methylethyl)-3-phenyl-1H-pyrrol- 1-yl]-3,5-dihydroxyheptanoic acid | B,C,D | 3CCT | 0.72 | ![]() |
CMF![]() | 3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID | A | 2BRK | 0.84 | ![]() |
3CS![]() | 3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4- IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)- 1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | A,B,C,D,E,F | 2Q7R | 0.73 | ![]() |
WBT![]() | 3-FLUORO-5-MORPHOLIN-4-YL-N-[1- (2-PYRIDIN-4-YLETHYL)-1H-INDOL- 6-YL]BENZAMIDE | A | 1WBT | 0.7 | ![]() |
IQA![]() | (5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID | A | 1OM1 | 0.72 | ![]() |
REW![]() | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3- (2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)- 4-OXOAZETIDINE-2-CARBOXYLIC ACID | A | 2REW | 0.72 | ![]() |
FRN![]() | A | 2CV3 | 0.7 | ![]() | |
CBB![]() | 1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER | B | 1LPK | 0.72 | ![]() |
LCF![]() | [6-(4-CHLOROPHENYL)-2,2-DIMETHYL- 7-PHENYL-2,3-DIHYDRO-1H-PYRROLIZIN- 5-YL]ACETIC ACID | A | 1ZYX | 0.7 | ![]() |
SNX![]() | 2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide | A | 3D0B | 0.72 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGF | 0.71 | ![]() |
IMM![]() | 1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID | A,B | 1PGG | 0.71 | ![]() |
117![]() | 7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL- 3-PHENYL-4-PHENYLCARBAMOYL-PYRROL- 1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID | A,B,C,D | 1HWK | 0.71 | ![]() |
KSA![]() | K-252A | A | 1R0P | 0.71 | ![]() |
KSA![]() | K-252A | A | 3EQF | 0.71 | ![]() |
ARH![]() | 3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE | A,B,C,D | 1H69 | 0.72 | ![]() |
839![]() | 3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID | A | 2IN6 | 0.75 | ![]() |
TTG![]() | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,B | 1RRJ | 0.71 | ![]() |
TTG![]() | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C,D | 1K4T | 0.71 | ![]() |
TTG![]() | 2-(1-DIMETHYLAMINOMETHYL-2-HYDROXY- 8-HYDROXYMETHYL-9-OXO-9,11-DIHYDRO- INDOLIZINO[1,2-B]QUINOLIN-7-YL)- 2-HYDROXY-BUTYRIC ACID | A,C | 1RR8 | 0.71 | ![]() |
POO![]() | 3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN- 3-YL)METHYL]AMINO}-2-OXOETHYL)- 2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID | A | 2BRL | 0.8 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1CQ1 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1OTW | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1C9U | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1W6S | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1FLG | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1KV9 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD6 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,B | 1CRU | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1H4I | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD7 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 2AD8 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,D,I | 2D0V | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 4AAH | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C,E,G | 1H4J | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1KB0 | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A | 1YIQ | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1LRW | 0.71 | ![]() |
PQQ![]() | PYRROLOQUINOLINE QUINONE | A,C | 1G72 | 0.71 | ![]() |
NA4![]() | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)- PYRIDIN-3-YL]-BENZOIC ACID | A,C | 1RHM | 0.71 | ![]() |