MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02290801

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
AT6	N-[2-(6-AMINO-4-METHYLPYRIDIN-2- YL)ETHYL]-4-CYANOBENZAMIDE	A,B	3E68	0.73
C92	N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)- 4-methyl-benzene-1,3-dicarboxamide	A,B	3CPB	0.73
4QB	3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-HEXANOYLAMINO}-4- OXO-BUTYRIC ACID	A	1RWN	0.82
AAI	trans-4-(7-carbamoyl-1H-benzimidazol- 2-yl)-1-propylpiperidinium	A	2RCW	0.74
9AD	9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE	A	465D	0.73
9AD	9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE- 4-CARBOXAMIDE	A	452D	0.73
3BI	(2S)-2-{[(R)-[(3R)-3-carboxy-3- {[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid	A	3BI1	0.77
5HI	(3R,5R)-7-[2-(4-fluorophenyl)-4- {[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}- 5-(1-methylethyl)-1H-imidazol-1- yl]-3,5-dihydroxyheptanoic acid	A,B,C,D	3CCZ	0.72
356	8-[(3R)-3-Aminopiperidin-1-yl]- 7-but-2-yn-1-yl-3-methyl-1-[(4- methylquinazolin-2-yl)methyl]-3,7- dihydro-1H-purine-2,6-dione	A,B	2RGU	0.71
4HI	(3R,5R)-7-[4-(benzylcarbamoyl)- 2-(4-fluorophenyl)-5-(1-methylethyl)- 1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid	B,C,D	3CCW	0.72
138		A,B,C,D	1JKX	0.71
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN2	0.72
8AD	9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE- 4-CARBOXAMIDE	A,B	1FN1	0.72
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1U1J	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2OGY	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XPG	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1TLS	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B,C	1ZP4	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2E7F	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1TSN	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	2IDK	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1XR2	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A	1B02	0.71
C2F	5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID	A,B	1Q8J	0.71
1N8	N-{2-[(N,N-DIETHYLGLYCYL)AMINO]- 5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL- 3-[2-(METHYLAMINO)QUINAZOLIN-6- YL]BENZAMIDE	A,B	2OG8	0.72
78P	(2R)-2-(7-carbamoyl-1H-benzimidazol- 2-yl)-2-methylpyrrolidinium	A	2RD6	0.71
24X		H,L	2EC9	0.72
1IQ	2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID	A	1Z8N	0.72
BFA	9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2- DIMETHYLAMINO-ETHYL)-AMIDE	A,B	1EG6	0.74
7AD	9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE- 4-CARBOXAMIDE	A,B	1RQY	0.72
C24	3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)- METHYL]-3-METHYL-3H-BENZOIMIDAZOLE- 5-CARBONYL}-PYRIDIN-2-YL-AMINO)- PROPIONIC ACID ETHYL ESTER	B,C	1KTS	0.76
BTH	4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)- BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- PENTANOIC ACID	A	1RWO	0.76