MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02993853

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
FBC		A,B	2B9A	0.81
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.73
MBO	MERCURIBENZOIC ACID	A	2QO8	0.76
MBO	MERCURIBENZOIC ACID	A	1LUG	0.76
MBO	MERCURIBENZOIC ACID	A	2HOC	0.76
MBO	MERCURIBENZOIC ACID	A	3EFI	0.76
MBO	MERCURIBENZOIC ACID	A	3BL0	0.76
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.76
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.76
MBO	MERCURIBENZOIC ACID	A	1DR7	0.76
MBO	MERCURIBENZOIC ACID	A	2HL4	0.76
MBO	MERCURIBENZOIC ACID	A	2GD8	0.76
MBO	MERCURIBENZOIC ACID	A	2QP6	0.76
MBO	MERCURIBENZOIC ACID	A	2HD6	0.76
MBO	MERCURIBENZOIC ACID	A	3C7P	0.76
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.76
MBO	MERCURIBENZOIC ACID	A	1DR6	0.76
MBO	MERCURIBENZOIC ACID	A	2HNC	0.76
MBO	MERCURIBENZOIC ACID	A	2QOA	0.76
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.75
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.71
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.7
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.74
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.74
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.81
34Z	3,4-dichlorobenzoate	X	2QVY	0.82
34Z	3,4-dichlorobenzoate	X	2QW0	0.82
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.73
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.73
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
TRZ	TRAZEOLIDE	A	1C12	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.72
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.8
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.8
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.78
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.84
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.84
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.82
4FC		A	1YSG	0.82
26C		A,B	2F7I	0.81
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.73
BHC	BENZENE HEXACARBOXYLIC ACID	A,B,C,D	1BQ4	0.7
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.7
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.72
PHT	PHTHALIC ACID	A,B,C	2B7P	0.8
PHT	PHTHALIC ACID	A	3C2V	0.8
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.8
PHT	PHTHALIC ACID	A,B	3C2R	0.8
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.77
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.77
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.75
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.75
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.73
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.73
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.76
3BZ	3-chlorobenzoate	X	2QVZ	0.85
3BZ	3-chlorobenzoate	X	2QVX	0.85
46C	4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin- 2(1H)-yl)methyl]benzoic acid	A	2ZDT	0.7
OX1		H,Y	1LO2	0.71
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.7
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.84
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.86
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.86
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.86
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.79
3CA		A,B	2B77	0.81
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.72
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.73
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.73
PMA	PYROMELLITIC ACID	A,B	1FUP	0.76
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.74
FHI		A,B	1Y1D	0.7
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.74
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.77
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.77
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
BFL		A,B	1Q4G	0.73
BEZ	BENZOIC ACID	A,B	2F8D	0.76
BEZ	BENZOIC ACID	A,B	1A8U	0.76
BEZ	BENZOIC ACID	A,B	1REE	0.76
BEZ	BENZOIC ACID	A	1L7Q	0.76
BEZ	BENZOIC ACID	A	1I69	0.76
BEZ	BENZOIC ACID	H,L	1RUL	0.76
BEZ	BENZOIC ACID	A,B	3CCF	0.76
BEZ	BENZOIC ACID	A	1W9Q	0.76
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.76
BEZ	BENZOIC ACID	H,L	1RUA	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.76
BEZ	BENZOIC ACID	H,L	1RU9	0.76
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.76
BEZ	BENZOIC ACID	A	2QMQ	0.76
BEZ	BENZOIC ACID	A	1UKB	0.76
BEZ	BENZOIC ACID	A,B	1RED	0.76
BEZ	BENZOIC ACID	A,B	1OC3	0.76
BEZ	BENZOIC ACID	A,B	1REF	0.76
BEZ	BENZOIC ACID	A,B	2O02	0.76
BEZ	BENZOIC ACID	A,B	2VJ1	0.76
BEZ	BENZOIC ACID	A,B,C	1WSP	0.76
BEZ	BENZOIC ACID	A	1HZ4	0.76
BEZ	BENZOIC ACID	A	2Q38	0.76
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.76
BEZ	BENZOIC ACID	A,B	2QL8	0.76
BEZ	BENZOIC ACID	A	2Q0I	0.76
BEZ	BENZOIC ACID	A,B	1S8F	0.76
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.76
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.76
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.76
BEZ	BENZOIC ACID	A,B	2F78	0.76
BEZ	BENZOIC ACID	A,B	2VL2	0.76
BEZ	BENZOIC ACID	A	1HD2	0.76
BEZ	BENZOIC ACID	A	1JU4	0.76
BEZ	BENZOIC ACID	H,L	2AJY	0.76
BEZ	BENZOIC ACID	A,B,C	3GV1	0.76
BEZ	BENZOIC ACID	A	2Q6U	0.76
BEZ	BENZOIC ACID	A,B	1VE9	0.76
BEZ	BENZOIC ACID	A,B	1S9A	0.76
BEZ	BENZOIC ACID	H,L,M	1OP3	0.76
BEZ	BENZOIC ACID	A	1W9E	0.76
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.76
BEZ	BENZOIC ACID	H,L	2AK1	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.76
BEZ	BENZOIC ACID	A,B	1GYX	0.76
BEZ	BENZOIC ACID	A	1V1T	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.76
BEZ	BENZOIC ACID	A,B	1HKQ	0.76
BEZ	BENZOIC ACID	H,L	1RUK	0.76
BEZ	BENZOIC ACID	A	2Q1B	0.76
BEZ	BENZOIC ACID	H,L	1RUM	0.76
BEZ	BENZOIC ACID	A,B	2F7A	0.76
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.76
BEZ	BENZOIC ACID	A,B	2V7B	0.76
BEZ	BENZOIC ACID	H	1NCW	0.76
BEZ	BENZOIC ACID	A,B	1TMX	0.76
BEZ	BENZOIC ACID	A	1URM	0.76
BEZ	BENZOIC ACID	A	1W9O	0.76
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.76
BEZ	BENZOIC ACID	H	1RUP	0.76
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.76
BEZ	BENZOIC ACID	A	2Q9R	0.76
BEZ	BENZOIC ACID	D,H	2OK6	0.76
BEZ	BENZOIC ACID	A,B	2Q0J	0.76
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.78
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.71
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	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
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.76
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.76
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.75
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.78
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.78
RMN	(R)-MANDELIC ACID	A	1MDL	0.7
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.7