MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00564529

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
2S3	(2S)-2-(1H-indol-3-yl)pentanoic acid	B	3C6P	0.7
GW4	N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]- 3-{4-[2-(5-METHYL-2-PHENYL-1,3- OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE	A,B	2POB	0.7
BH1	BACTERIOPHEOPHYTIN	H,L,M	2BOZ	0.72
BH1	BACTERIOPHEOPHYTIN	A,B	2BNS	0.72
BH1	BACTERIOPHEOPHYTIN	A,B	2BNP	0.72
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
CBB	1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE- 2-CARBOXYLIC ACID 3-CARBAMIMIDOYL- BENZYLESTER	B	1LPK	0.81
V25	ethyl 3-[(E)-2-amino-1-cyanoethenyl]- 6,7-dichloro-1-methyl-1H-indole- 2-carboxylate	A	2VAG	0.71
JTP	N-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2- D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]- 2-METHYL-L-ALANINE	A,B	2DXS	0.72
2S8	(2S)-8-[(tert-butoxycarbonyl)amino]- 2-(1H-indol-3-yl)octanoic acid	B	3C6N	0.71
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
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	0.71
6IN	4-(1-BENZYL-3-CARBAMOYLMETHYL-2- METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID	A	1DB5	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	0.76
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	0.72
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
KAW	N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-tryptophan	A	3BKL	0.71
A46	5-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}- 1H-indole-2-carboxamide	A,B	2ZB2	0.72
FIC	5-fluoroindole-2-carboxylic acid	A,B	3DWS	0.75
OAI	6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACID	A	1C83	0.73
I4A	5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid	A	3FR5	0.7
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGF	0.7
IMM	1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE- 3-ACETIC ACID	A,B	1PGG	0.7
VX3	2,3-diphenyl-1H-indole-7-carboxylic acid	A	3BGZ	0.72
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
CLI	3-(2-CARBOXY-ETHYL)-4,6-DICHLORO- 1H-INDOLE-2-CARBOXYLIC ACID	A,F	1LEV	0.73
2S2	(2S)-2-(1H-indol-3-yl)hexanoic acid	B	3C6O	0.71
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	0.72
ARH	3-(HYDROXYMETHYL)-1-METHYL-5-(2- METHYLAZIRIDIN-1-YL)-2-PHENYL-1H- INDOLE-4,7-DIONE	A,B,C,D	1H69	0.73
544	2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,D	1K74	0.71
544	2-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)- 3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL- 4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,C,E,G	1K7L	0.71
SNX	2-[(2-methoxyethyl)amino]-4-(4- oxo-1,2,3,4-tetrahydro-9H-carbazol- 9-yl)benzamide	A	3D0B	0.74
IOG	N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]- 2-[2-PHENYL-6-(2-PIPERIDIN-1-YLETHOXY)- 1H-INDOL-3-YL]ACETAMIDE	A	2IOG	0.7
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	1C8L	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	2AMV	0.74
BIN	2,3-DICARBOXY-4-(2-CHLORO-PHENYL)- 1-ETHYL-5-ISOPROPOXYCARBONYL-6- METHYL-PYRIDINIUM	A	3AMV	0.74
8CA	9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid	A	3FR2	0.7
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
340	5-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE- 4,7-DIONE	A,B,C,D	1KBO	0.71
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CQ1	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1OTW	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1C9U	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1W6S	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1FLG	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1KV9	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD6	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,B	1CRU	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1H4I	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD7	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	2AD8	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,D,I	2D0V	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	4AAH	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C,E,G	1H4J	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1KB0	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A	1YIQ	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1LRW	0.8
PQQ	PYRROLOQUINOLINE QUINONE	A,C	1G72	0.8
570	2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,D	1RDT	0.72
570	2-(2-BENZOYL-PHENYLAMINO)-3-{4- [2-(5-METHYL-2-PHENYL-OXAZOL-4- YL)-ETHOXY]-PHENYL}-PROPIONIC ACID	A,D	1FM9	0.72
TCR	CYCLOMETHYLTRYPTOPHAN	A	3AIG	0.71
T19	PHENYLMETHYLENECARBOXY-(METHYLENEAMINO- FORMYL-DIPHENYLMETHYL)METHY-PRO- BOROVAL	H,I	1AIX	0.73
CMF	3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL- 2-OXOETHYL)-2-PHENYL-1H-INDOLE- 6-CARBOXYLIC ACID	A	2BRK	0.73
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	0.73
110	3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY- 3-[(4-OXO-2-PHENYLMETHANESULFONYL- 1,2,3,4-TETRAHYDRO-PYRROLO[1,2- A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER	A	1G37	0.72
MOC	CARBAMIC ACID 2,6-DIAMINO-5-METHYL- 4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H- 3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER	A	199D	0.72
ICO	1H-INDOLE-3-CARBOXYLIC ACID	L	2PIP	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
CRR	3,4-DI-1H-INDOL-3-YL-1H-PYRROLE- 2,5-DICARBOXYLIC ACID	A	2Z3U	0.74
PHO	PHEOPHYTIN A	A,B,C,D,F,H, K,L,T,V,Z	3A0H	0.73
PHO	PHEOPHYTIN A	Z	1W5C	0.73
PHO	PHEOPHYTIN A	A,B,C,D,F,H, I,K,L,M,T,V,X	2AXT	0.73
PHO	PHEOPHYTIN A	A,B,C,D,E,H, J,K,L,T,V,Z	3A0B	0.73
PHO	PHEOPHYTIN A	A,B,C,D,E,F, H,I,J,K,M,O, T,V,Z	3BZ1	0.73
PHO	PHEOPHYTIN A	0,A,B,C,D,E, G,J,K,L,M,N, P,R,V,W	1IZL	0.73
PHO	PHEOPHYTIN A	A,B,C,D,E,F, J,K,V	1S5L	0.73
PHO	PHEOPHYTIN A	A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R	1ILX	0.73
PHO	PHEOPHYTIN A	A,B,C,D,F,G, H,I,J,K,L,M, O,P,Q,R	1FE1	0.73
PHO	PHEOPHYTIN A	A,B,C,D,E,F, H,I,J,K,L,M, O,T,V,X,Z	3BZ2	0.73
YPA	(S)-3-(4-(2-CARBAZOL-9-YL-ETHOXY)- PHENYL)-2-ETHOXY-PROPIONIC ACID	A	1KNU	0.7
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	0.72
RX3	N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}- 2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)- L-TRYPTOPHAN	A	2OC2	0.7
225	FELODIPINE	A	2NNJ	0.71
936	5-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE- 4,7-DIONE	A,B,C,D	1KBQ	0.7
I3N	1-BENZYL-5-METHOXY-2-METHYL-1H- INDOL-3-YL)-ACETIC ACID	A	1DCY	0.71