MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875537

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
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.7
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.77
FLP	FLURBIPROFEN	A,B	1CQE	0.77
FLP	FLURBIPROFEN	A,B	1EQH	0.77
FLP	FLURBIPROFEN	A,B	2AYL	0.77
FLP	FLURBIPROFEN	A	1DVT	0.77
FLP	FLURBIPROFEN	A	1R9O	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.75
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.75
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.81
BFL		A,B	1Q4G	0.79
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.74
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.74
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.74
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.74
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.74
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.77
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.78
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.78
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.78
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.74
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.74
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.75
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.75
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.75
4FC		A	1YSG	0.72
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.82
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
3CA		A,B	2B77	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.74
FBC		A,B	2B9A	0.72
3BZ	3-chlorobenzoate	X	2QVZ	0.76
3BZ	3-chlorobenzoate	X	2QVX	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.76
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.75
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.82
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.82
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.82
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.82
26C		A,B	2F7I	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.77
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.77
PAC	2-PHENYLACETIC ACID	B	1FXH	0.77
PAC	2-PHENYLACETIC ACID	A	2ISF	0.77
PAC	2-PHENYLACETIC ACID	A	2INE	0.77