MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02331786

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
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.8
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.74
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.87
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.87
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.72
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
PHT	PHTHALIC ACID	A,B,C	2B7P	0.79
PHT	PHTHALIC ACID	A	3C2V	0.79
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.79
PHT	PHTHALIC ACID	A,B	3C2R	0.79
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.73
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.8
3BZ	3-chlorobenzoate	X	2QVZ	0.72
3BZ	3-chlorobenzoate	X	2QVX	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.81
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.81
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.81
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
PMA	PYROMELLITIC ACID	A,B	1FUP	0.77
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.77
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.8
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.8
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
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
26C		A,B	2F7I	0.83
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.75
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.86
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.75
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
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.77
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.73
FLP	FLURBIPROFEN	A,B	1CQE	0.73
FLP	FLURBIPROFEN	A,B	1EQH	0.73
FLP	FLURBIPROFEN	A,B	2AYL	0.73
FLP	FLURBIPROFEN	A	1DVT	0.73
FLP	FLURBIPROFEN	A	1R9O	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.74
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
FBC		A,B	2B9A	0.83
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.7
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.75
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.75
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
FHI		A,B	1Y1D	0.72
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.78
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
OX1		H,Y	1LO2	0.75
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.83
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
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.76
4FC		A	1YSG	0.84
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.75
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.88
IBP	IBUPROFEN	A	3FKX	0.71
IBP	IBUPROFEN	A,B	2BXG	0.71
IBP	IBUPROFEN	A,B	1EQG	0.71
IBP	IBUPROFEN	A,B,C	2WD9	0.71
IBP	IBUPROFEN	A	2PWS	0.71
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.74
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.71
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.8
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.76
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.76
BHC	BENZENE HEXACARBOXYLIC ACID	A,B,C,D	1BQ4	0.71
BFL		A,B	1Q4G	0.75
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
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.78
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
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