MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01587188

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
ATU	9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5- B]INDOL-6-ONE	A,B	1Q3W	0.73
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1Q	0.73
IAC	1H-INDOL-3-YLACETIC ACID	A	2OYF	0.73
IAC	1H-INDOL-3-YLACETIC ACID	A,B	3FVU	0.73
IAC	1H-INDOL-3-YLACETIC ACID	B	2P1P	0.73
BH1	BACTERIOPHEOPHYTIN	H,L,M	2BOZ	0.72
BH1	BACTERIOPHEOPHYTIN	A,B	2BNS	0.72
BH1	BACTERIOPHEOPHYTIN	A,B	2BNP	0.72
I3N	1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID	A	1DCY	0.74
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1QPA	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A,B	1B80	0.71
HTR	BETA-HYDROXYTRYPTOPHANE	A	1ROV	0.71
IMA	[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM	B	1LPG	0.7
IMA	[4-({[5-BENZYLOXY-1-(3-CARBAMIMIDOYL- BENZYL)-1H-INDOLE-2-CARBONYL]-AMINO}- METHYL)-PHENYL]-TRIMETHYL-AMMONIUM	A	1LQE	0.7
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RG5	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWT	0.74
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	0.74
BPH	BACTERIOPHEOPHYTIN A	A,B,C	1Z9K	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXK	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RY5	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RZH	0.74
BPH	BACTERIOPHEOPHYTIN A	C,H,L,M	1EYS	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWS	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	4RCR	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1K6N	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1YF6	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX5	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTS	0.74
BPH	BACTERIOPHEOPHYTIN A	C	1E14	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTA	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1PST	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1KBY	0.74
BPH	BACTERIOPHEOPHYTIN A	C,H,L,M	1L9B	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	2RCR	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1PCR	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1M3X	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HJ6	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DS8	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1FNQ	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXJ	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1QOV	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DU3	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX4	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1AIJ	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M,N,O	1AIG	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RGN	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGX	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWV	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RQK	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DV6	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWW	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1RZZ	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M,R,S	1S00	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HG3	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UX3	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1OGV	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DUQ	0.74
BPH	BACTERIOPHEOPHYTIN A	A,B	1Z9J	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2GNU	0.74
BPH	BACTERIOPHEOPHYTIN A	C	1E6D	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1MPS	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M,X	2UXM	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1RVJ	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UXL	0.74
BPH	BACTERIOPHEOPHYTIN A	C,D,L,M,R,S	1L9J	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	2JJ0	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1JH0	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2GMR	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DU2	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1PSS	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HG9	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HIT	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2JIY	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2UWU	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGZ	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2J8C	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M,R,S,T	1DV3	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DSY	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1F6N	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1FNP	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	1K6L	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HHK	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGW	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2J8D	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1YST	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	3DTR	0.74
BPH	BACTERIOPHEOPHYTIN A	L,M	1JGY	0.74
BPH	BACTERIOPHEOPHYTIN A	H,L,M	2HH1	0.74
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	0.75
CMM	2-[2-(1-CARBAMIMIDOYL-PIPERIDIN- 3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL- 1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER	A,B	1M49	0.73
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.73
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
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	3PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	6PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RY5	0.74
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RZH	0.74
BPB	BACTERIOPHEOPHYTIN B	L,M,R,S	1RZZ	0.74
BPB	BACTERIOPHEOPHYTIN B	L,M,R,S	1S00	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2JBL	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1VRN	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	7PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1UMX	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1R2C	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	3D38	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	2I5N	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	5PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M	1PRC	0.74
BPB	BACTERIOPHEOPHYTIN B	H,L,M	1RVJ	0.74
BPB	BACTERIOPHEOPHYTIN B	C,H,L,M,U	1DXR	0.74
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.7
TRO	2-HYDROXY-TRYPTOPHAN	A	1KB0	0.71
TRO	2-HYDROXY-TRYPTOPHAN	A	1G3P	0.71
824	9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE- 1,3(2H,6H)-DIONE	A	1X8B	0.72
V5X	(2R)-N~8~-HYDROXY-2-{[(5-METHOXY- 2-METHYL-1H-INDOL-3-YL)ACETYL]AMINO}- N~1~-[2-(2-PHENYL-1H-INDOL-3-YL)ETHYL]OCTANEDIAMIDE	A,B	2V5X	0.73
839	3-(9-HYDROXY-1,3-DIOXO-4-PHENYL- 2,3-DIHYDROPYRROLO[3,4-C]CARBAZOL- 6(1H)-YL)PROPANOIC ACID	A	2IN6	0.71
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	A,B,C,D	1XES	0.72
3IO	3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID	B,C,D	1XET	0.72
6IN	4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID	A	1DB5	0.75
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	0.71
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.77
S55	METHYL (2S,3R,4S)-3-ETHYL-2-(BETA- D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9- TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]- 3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE	A,B	2JF6	0.71
S55	METHYL (2S,3R,4S)-3-ETHYL-2-(BETA- D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9- TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]- 3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE	A,B	2V91	0.71
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.73
NCX	1-(2-DEOXY-5-O-PHOSPHONO-BETA-D- ERYTHRO-PENTOFURANOSYL)-5-NITRO- 1H-INDOLE-3-CARBOXAMIDE	A	2O4Y	0.7
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.71
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.74
240	(2S)-2-(2-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID	A,B	2Q59	0.73
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.74
IMN	INDOMETHACIN	A	2BXM	0.73
IMN	INDOMETHACIN	A	3FO7	0.73
IMN	INDOMETHACIN	A,B,C,D	1Z9H	0.73
IMN	INDOMETHACIN	A	2BXQ	0.73
IMN	INDOMETHACIN	A,B,C,D	4COX	0.73
IMN	INDOMETHACIN	A	2ALT	0.73
IMN	INDOMETHACIN	A	2OTH	0.73
IMN	INDOMETHACIN	A,B	2DM6	0.73
IMN	INDOMETHACIN	A	1S2A	0.73
IMN	INDOMETHACIN	A	2ZB8	0.73
IMN	INDOMETHACIN	A	3HWZ	0.73
IMN	INDOMETHACIN	A	2BXK	0.73
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.74
KAW	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan	A	3BKL	0.72
936	5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE- 4,7-DIONE	A,B,C,D	1KBQ	0.74
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.71
SNX	2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide	A	3D0B	0.74
IID	N-(1-ISOPROPYLPIPERIDIN-4-YL)-1- (3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE	A,B	2BQ7	0.7
DSI	4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)- 8-METHYL-3,6,7,8-TETRAHYDRO-3,6- DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER	B	1DSI	0.7
DRK	3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one	A	3F3Z	0.7
DRK	3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)- 1H,2'H-2,3'-biindol-2'-one	A,C	3EB0	0.7
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.73
ET0	3-(5-methoxy-1H-indol-3-yl)propanoic acid	A,B	3ET0	0.71
IM8	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1R)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYE	0.72
IMS	2-[1-(4-CHLOROBENZOYL)-5-METHOXY- 2-METHYL-1H-INDOL-3-YL]-N-[(1S)- 1-(HYDROXYMETHYL)PROPYL]ACETAMIDE	P	2OYU	0.72
IQA	(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN- 7-YL)-ACETIC ACID	A	1OM1	0.72
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	0.78
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.77
MPE	(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)- ACETIC ACID	A	1M4A	0.72
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.73
IDA	(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO- INDOL-7-YL)ACETIC ACID	A,B	1OXL	0.74
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.73
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.76
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.76
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.73
3IL	3-(INDOL-3-YL) LACTATE	A	2A7P	0.73
F8A	9-[2-(trifluoromethyl)benzyl]-2,3,4,9- tetrahydro-1H-carbazole-8-carboxylic acid	A	3FR4	0.71
8IN	[3-(1-BENZYL-3-CARBAMOYLMETHYL- 2-METHYL-1H-INDOL-5-YLOXY)-PROPYL- ]-PHOSPHONIC ACID	A	1DB4	0.73
IOK	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE	A,B	2IOK	0.71
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.7
241	(2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID	A,B	2Q5P	0.73
PHO	PHEOPHYTIN A	A,B,C,D,F,H, K,L,T,V,Z	3A0H	0.75
PHO	PHEOPHYTIN A	Z	1W5C	0.75
PHO	PHEOPHYTIN A	A,B,C,D,F,H, I,K,L,M,T,V,X	2AXT	0.75
PHO	PHEOPHYTIN A	A,B,C,D,E,H, J,K,L,T,V,Z	3A0B	0.75
PHO	PHEOPHYTIN A	A,B,C,D,E,F, H,I,J,K,M,O, T,V,Z	3BZ1	0.75
PHO	PHEOPHYTIN A	0,A,B,C,D,E, G,J,K,L,M,N, P,R,V,W	1IZL	0.75
PHO	PHEOPHYTIN A	A,B,C,D,E,F, J,K,V	1S5L	0.75
PHO	PHEOPHYTIN A	A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R	1ILX	0.75
PHO	PHEOPHYTIN A	A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R	1FE1	0.75
PHO	PHEOPHYTIN A	A,B,C,D,E,F, H,I,J,K,L,M, O,T,V,X,Z	3BZ2	0.75