MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03245192

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
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.82
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.82
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
MBO	MERCURIBENZOIC ACID	A	2QO8	0.71
MBO	MERCURIBENZOIC ACID	A	1LUG	0.71
MBO	MERCURIBENZOIC ACID	A	2HOC	0.71
MBO	MERCURIBENZOIC ACID	A	3EFI	0.71
MBO	MERCURIBENZOIC ACID	A	3BL0	0.71
MBO	MERCURIBENZOIC ACID	A,B,C,D,E,F	1NAQ	0.71
MBO	MERCURIBENZOIC ACID	A	3CAJ	0.71
MBO	MERCURIBENZOIC ACID	A	1DR7	0.71
MBO	MERCURIBENZOIC ACID	A	2HL4	0.71
MBO	MERCURIBENZOIC ACID	A	2GD8	0.71
MBO	MERCURIBENZOIC ACID	A	2QP6	0.71
MBO	MERCURIBENZOIC ACID	A	2HD6	0.71
MBO	MERCURIBENZOIC ACID	A	3C7P	0.71
MBO	MERCURIBENZOIC ACID	A,B	2JHN	0.71
MBO	MERCURIBENZOIC ACID	A	1DR6	0.71
MBO	MERCURIBENZOIC ACID	A	2HNC	0.71
MBO	MERCURIBENZOIC ACID	A	2QOA	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.7
BFL		A,B	1Q4G	0.76
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
3BZ	3-chlorobenzoate	X	2QVZ	0.78
3BZ	3-chlorobenzoate	X	2QVX	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
4FC		A	1YSG	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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.81
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
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.72
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.78
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.78
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.78
26C		A,B	2F7I	0.75
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.79
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.79
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.73
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
BEZ	BENZOIC ACID	A,B	2F8D	0.71
BEZ	BENZOIC ACID	A,B	1A8U	0.71
BEZ	BENZOIC ACID	A,B	1REE	0.71
BEZ	BENZOIC ACID	A	1L7Q	0.71
BEZ	BENZOIC ACID	A	1I69	0.71
BEZ	BENZOIC ACID	H,L	1RUL	0.71
BEZ	BENZOIC ACID	A,B	3CCF	0.71
BEZ	BENZOIC ACID	A	1W9Q	0.71
BEZ	BENZOIC ACID	A,B,G,J	2DU8	0.71
BEZ	BENZOIC ACID	H,L	1RUA	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1H4O	0.71
BEZ	BENZOIC ACID	H,L	1RU9	0.71
BEZ	BENZOIC ACID	A,B,C,D	2V32	0.71
BEZ	BENZOIC ACID	A	2QMQ	0.71
BEZ	BENZOIC ACID	A	1UKB	0.71
BEZ	BENZOIC ACID	A,B	1RED	0.71
BEZ	BENZOIC ACID	A,B	1OC3	0.71
BEZ	BENZOIC ACID	A,B	1REF	0.71
BEZ	BENZOIC ACID	A,B	2O02	0.71
BEZ	BENZOIC ACID	A,B	2VJ1	0.71
BEZ	BENZOIC ACID	A,B,C	1WSP	0.71
BEZ	BENZOIC ACID	A	1HZ4	0.71
BEZ	BENZOIC ACID	A	2Q38	0.71
BEZ	BENZOIC ACID	A,B,C,D	1UUJ	0.71
BEZ	BENZOIC ACID	A,B	2QL8	0.71
BEZ	BENZOIC ACID	A	2Q0I	0.71
BEZ	BENZOIC ACID	A,B	1S8F	0.71
BEZ	BENZOIC ACID	D,E,F,G,H	1DJR	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I	1ONI	0.71
BEZ	BENZOIC ACID	A,B,C,D	1I7Q	0.71
BEZ	BENZOIC ACID	A,B,C,D	2RHM	0.71
BEZ	BENZOIC ACID	A,B	2F78	0.71
BEZ	BENZOIC ACID	A,B	2VL2	0.71
BEZ	BENZOIC ACID	A	1HD2	0.71
BEZ	BENZOIC ACID	A	1JU4	0.71
BEZ	BENZOIC ACID	H,L	2AJY	0.71
BEZ	BENZOIC ACID	A,B,C	3GV1	0.71
BEZ	BENZOIC ACID	A	2Q6U	0.71
BEZ	BENZOIC ACID	A,B	1VE9	0.71
BEZ	BENZOIC ACID	A,B	1S9A	0.71
BEZ	BENZOIC ACID	H,L,M	1OP3	0.71
BEZ	BENZOIC ACID	A	1W9E	0.71
BEZ	BENZOIC ACID	A,B,C,D	2V2G	0.71
BEZ	BENZOIC ACID	H,L	2AK1	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	2V41	0.71
BEZ	BENZOIC ACID	A,B	1GYX	0.71
BEZ	BENZOIC ACID	A	1V1T	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1YAJ	0.71
BEZ	BENZOIC ACID	A,B	1HKQ	0.71
BEZ	BENZOIC ACID	H,L	1RUK	0.71
BEZ	BENZOIC ACID	A	2Q1B	0.71
BEZ	BENZOIC ACID	H,L	1RUM	0.71
BEZ	BENZOIC ACID	A,B	2F7A	0.71
BEZ	BENZOIC ACID	A,B,C,D,E,F, G,H	1KIF	0.71
BEZ	BENZOIC ACID	A,B	2V7B	0.71
BEZ	BENZOIC ACID	H	1NCW	0.71
BEZ	BENZOIC ACID	A,B	1TMX	0.71
BEZ	BENZOIC ACID	A	1URM	0.71
BEZ	BENZOIC ACID	A	1W9O	0.71
BEZ	BENZOIC ACID	A,B,C,D	1GXS	0.71
BEZ	BENZOIC ACID	H	1RUP	0.71
BEZ	BENZOIC ACID	A,B,C,D	1KQB	0.71
BEZ	BENZOIC ACID	A	2Q9R	0.71
BEZ	BENZOIC ACID	D,H	2OK6	0.71
BEZ	BENZOIC ACID	A,B	2Q0J	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.7
FBC		A,B	2B9A	0.75
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFK	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZFQ	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1Z9Y	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZH9	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGE	0.71
BE7	(4-CARBOXYPHENYL)(CHLORO)MERCURY	A	1ZGF	0.71
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.71
34Z	3,4-dichlorobenzoate	X	2QVY	0.78
34Z	3,4-dichlorobenzoate	X	2QW0	0.78
3CA		A,B	2B77	0.8
PHT	PHTHALIC ACID	A,B,C	2B7P	0.73
PHT	PHTHALIC ACID	A	3C2V	0.73
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.73
PHT	PHTHALIC ACID	A,B	3C2R	0.73
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.89
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.72
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1F2W	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2F14	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1BV3	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	2AW1	0.71
HGB	4-(HYDROXYMERCURY)BENZOIC ACID	A	1ZE8	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.75
TRZ	TRAZEOLIDE	A	1C12	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