MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02696536

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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.71
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.71
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.71
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.71
072	(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE	A,B,C,D	4PRG	0.71
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.73
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.73
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	0.73
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.74
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.72
AJH	4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid	A,B	3EIO	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.71
EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6- dihydropyrimidin-5-yl)propyl]benzoic acid	X	3EJ5	0.71
PHT	PHTHALIC ACID	A,B,C	2B7P	0.72
PHT	PHTHALIC ACID	A	3C2V	0.72
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.72
PHT	PHTHALIC ACID	A,B	3C2R	0.72
4FC		A	1YSG	0.72
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.73
MTB		A,B	1SRF	0.71
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.8
FBC		A,B	2B9A	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.79
A80	N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID	A	2CBR	0.74
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.76
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.73
197	4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID	A	1O4A	0.72
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
853	5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID	A	1O48	0.72
1BA	4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDE	A	2GPP	0.8
26C		A,B	2F7I	0.72
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.76