MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03128918

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
BFL		A,B	1Q4G	0.81
IBP	IBUPROFEN	A	3FKX	0.85
IBP	IBUPROFEN	A,B	2BXG	0.85
IBP	IBUPROFEN	A,B	1EQG	0.85
IBP	IBUPROFEN	A,B,C	2WD9	0.85
IBP	IBUPROFEN	A	2PWS	0.85
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.73
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	0.73
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	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.73
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.73
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.77
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.77
TRZ	TRAZEOLIDE	A	1C12	0.71
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.7
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.7
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.85
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.85
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.79
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.78
PAC	2-PHENYLACETIC ACID	B	1PNL	0.79
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.79
PAC	2-PHENYLACETIC ACID	B	1FXH	0.79
PAC	2-PHENYLACETIC ACID	A	2ISF	0.79
PAC	2-PHENYLACETIC ACID	A	2INE	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.79
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.79
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.74
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.74
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.79
FLP	FLURBIPROFEN	A,B	1CQE	0.79
FLP	FLURBIPROFEN	A,B	1EQH	0.79
FLP	FLURBIPROFEN	A,B	2AYL	0.79
FLP	FLURBIPROFEN	A	1DVT	0.79
FLP	FLURBIPROFEN	A	1R9O	0.79
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	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
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.7
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.79
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.8
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.8
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.8
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.83
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.83
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.75
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.81
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.81
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.81
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.81
HCI	HYDROCINNAMIC ACID	A	1TOI	0.81
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.81
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.81
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.79
4BF	4-BROMO-L-PHENYLALANINE	A	2AG6	0.77
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.71
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.82
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.81