MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03187848

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
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
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
EQU	EQUILENIN	A,B	1OGX	0.74
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.74
EQU	EQUILENIN	A,B	1OH0	0.74
EQU	EQUILENIN	A	1W6Y	0.74
EQU	EQUILENIN	A,B	1CQS	0.74
EQU	EQUILENIN	A	1OGZ	0.74
EQU	EQUILENIN	A	1GS3	0.74
EQU	EQUILENIN	A	1OHO	0.74
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
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.75
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
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.79
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.92
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.79
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.79
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
26C		A,B	2F7I	0.82
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.74
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.74
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.78
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.81
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
4FC		A	1YSG	0.83
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.81
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.81
BHC	BENZENE HEXACARBOXYLIC ACID	A,B,C,D	1BQ4	0.78
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.77
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.77
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.74
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.81
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.81
FBC		A,B	2B9A	0.82
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.7
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
PMA	PYROMELLITIC ACID	A,B	1FUP	0.84
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.74
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.75
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
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.71
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.71
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.71
OX1		H,Y	1LO2	0.76
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
TRZ	TRAZEOLIDE	A	1C12	0.77
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.75
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.87
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.73
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.74
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.74
FHI		A,B	1Y1D	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.84
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.71
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.83
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.83
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.7
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.7
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.7
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.72
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.7
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.77
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
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.72
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	0.79
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	0.79
BFL		A,B	1Q4G	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	0.9
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.77
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
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	0.77
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.92
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.92
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.9
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.83
B3I	2,3,5-TRIIODOBENZOIC ACID	A	1BKE	0.73