MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02102813

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
BHO	BENZHYDROXAMIC ACID	A,B	1GX2	0.73
BHO	BENZHYDROXAMIC ACID	A	1HSR	0.73
BHO	BENZHYDROXAMIC ACID	A,B	2ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	4ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A,B	3ATJ	0.73
BHO	BENZHYDROXAMIC ACID	A	3GCK	0.73
BHO	BENZHYDROXAMIC ACID	A,B,C,D,E,F, G,H	2BOY	0.73
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.82
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.82
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
4BA	4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID	C	1FAV	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.75
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.78
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
FBC		A,B	2B9A	0.76
3BZ	3-chlorobenzoate	X	2QVZ	0.72
3BZ	3-chlorobenzoate	X	2QVX	0.72
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.72
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.73
MBO	MERCURIBENZOIC ACID	A	2QO8	0.79
MBO	MERCURIBENZOIC ACID	A	1LUG	0.79
MBO	MERCURIBENZOIC ACID	A	2HOC	0.79
MBO	MERCURIBENZOIC ACID	A	3EFI	0.79
MBO	MERCURIBENZOIC ACID	A	3BL0	0.79
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.79
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.79
MBO	MERCURIBENZOIC ACID	A	1DR7	0.79
MBO	MERCURIBENZOIC ACID	A	2HL4	0.79
MBO	MERCURIBENZOIC ACID	A	2GD8	0.79
MBO	MERCURIBENZOIC ACID	A	2QP6	0.79
MBO	MERCURIBENZOIC ACID	A	2HD6	0.79
MBO	MERCURIBENZOIC ACID	A	3C7P	0.79
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.79
MBO	MERCURIBENZOIC ACID	A	1DR6	0.79
MBO	MERCURIBENZOIC ACID	A	2HNC	0.79
MBO	MERCURIBENZOIC ACID	A	2QOA	0.79
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.72
4FC		A	1YSG	0.76
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.77
26C		A,B	2F7I	0.76
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
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.72
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.72
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.72
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.72
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.76
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.78
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.78
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.76
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
BVA	TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE	B,C	2P8O	0.71
BFL		A,B	1Q4G	0.7
PMA	PYROMELLITIC ACID	A,B	1FUP	0.71
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.84
GAB	3-AMINOBENZOIC ACID	A,B,C,D,E,F	2PQF	0.7
GAB	3-AMINOBENZOIC ACID	A,B	3GSB	0.7
GAB	3-AMINOBENZOIC ACID	A,B,C	1GBN	0.7
GAB	3-AMINOBENZOIC ACID	A	3FHB	0.7
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
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.74
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.79
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.79
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.79
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.79
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.79
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.75
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.75
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
EJ5	4-[3-(2-amino-4-hydroxy-6-oxo-1,6- dihydropyrimidin-5-yl)propyl]benzoic acid	X	3EJ5	0.72
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
BEZ	BENZOIC ACID	A,B	2F8D	0.79
BEZ	BENZOIC ACID	A,B	1A8U	0.79
BEZ	BENZOIC ACID	A,B	1REE	0.79
BEZ	BENZOIC ACID	A	1L7Q	0.79
BEZ	BENZOIC ACID	A	1I69	0.79
BEZ	BENZOIC ACID	H,L	1RUL	0.79
BEZ	BENZOIC ACID	A,B	3CCF	0.79
BEZ	BENZOIC ACID	A	1W9Q	0.79
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.79
BEZ	BENZOIC ACID	H,L	1RUA	0.79
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.79
BEZ	BENZOIC ACID	H,L	1RU9	0.79
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.79
BEZ	BENZOIC ACID	A	2QMQ	0.79
BEZ	BENZOIC ACID	A	1UKB	0.79
BEZ	BENZOIC ACID	A,B	1RED	0.79
BEZ	BENZOIC ACID	A,B	1OC3	0.79
BEZ	BENZOIC ACID	A,B	1REF	0.79
BEZ	BENZOIC ACID	A,B	2O02	0.79
BEZ	BENZOIC ACID	A,B	2VJ1	0.79
BEZ	BENZOIC ACID	A,B,C	1WSP	0.79
BEZ	BENZOIC ACID	A	1HZ4	0.79
BEZ	BENZOIC ACID	A	2Q38	0.79
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.79
BEZ	BENZOIC ACID	A,B	2QL8	0.79
BEZ	BENZOIC ACID	A	2Q0I	0.79
BEZ	BENZOIC ACID	A,B	1S8F	0.79
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.79
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.79
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.79
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.79
BEZ	BENZOIC ACID	A,B	2F78	0.79
BEZ	BENZOIC ACID	A,B	2VL2	0.79
BEZ	BENZOIC ACID	A	1HD2	0.79
BEZ	BENZOIC ACID	A	1JU4	0.79
BEZ	BENZOIC ACID	H,L	2AJY	0.79
BEZ	BENZOIC ACID	A,B,C	3GV1	0.79
BEZ	BENZOIC ACID	A	2Q6U	0.79
BEZ	BENZOIC ACID	A,B	1VE9	0.79
BEZ	BENZOIC ACID	A,B	1S9A	0.79
BEZ	BENZOIC ACID	H,L,M	1OP3	0.79
BEZ	BENZOIC ACID	A	1W9E	0.79
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.79
BEZ	BENZOIC ACID	H,L	2AK1	0.79
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.79
BEZ	BENZOIC ACID	A,B	1GYX	0.79
BEZ	BENZOIC ACID	A	1V1T	0.79
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.79
BEZ	BENZOIC ACID	A,B	1HKQ	0.79
BEZ	BENZOIC ACID	H,L	1RUK	0.79
BEZ	BENZOIC ACID	A	2Q1B	0.79
BEZ	BENZOIC ACID	H,L	1RUM	0.79
BEZ	BENZOIC ACID	A,B	2F7A	0.79
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.79
BEZ	BENZOIC ACID	A,B	2V7B	0.79
BEZ	BENZOIC ACID	H	1NCW	0.79
BEZ	BENZOIC ACID	A,B	1TMX	0.79
BEZ	BENZOIC ACID	A	1URM	0.79
BEZ	BENZOIC ACID	A	1W9O	0.79
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.79
BEZ	BENZOIC ACID	H	1RUP	0.79
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.79
BEZ	BENZOIC ACID	A	2Q9R	0.79
BEZ	BENZOIC ACID	D,H	2OK6	0.79
BEZ	BENZOIC ACID	A,B	2Q0J	0.79
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.78
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.77
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.77
PHT	PHTHALIC ACID	A,B,C	2B7P	0.75
PHT	PHTHALIC ACID	A	3C2V	0.75
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.75
PHT	PHTHALIC ACID	A,B	3C2R	0.75
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72