MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875267

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
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.73
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	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	0.72
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.83
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.85
TRZ	TRAZEOLIDE	A	1C12	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.78
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.76
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.76
SMN	(S)-MANDELIC ACID	A	1MDL	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.85
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.85
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.76
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.73
APA	AMIDO PHENYL PYRUVIC ACID	H,I	1AHT	0.73
APA	AMIDO PHENYL PYRUVIC ACID	A,B,C,D	1A0L	0.73
APA	AMIDO PHENYL PYRUVIC ACID	A	1TPP	0.73
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.77
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
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.77
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.74
BFL		A,B	1Q4G	0.82
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.7
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.81
RMN	(R)-MANDELIC ACID	A	1MDL	0.74
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	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
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
FBC		A,B	2B9A	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.72
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.79
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.76
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.79
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.79
DPN	D-PHENYLALANINE	P	1MCS	0.71
DPN	D-PHENYLALANINE	A	1GOE	0.71
DPN	D-PHENYLALANINE	A	2RM9	0.71
DPN	D-PHENYLALANINE	A	1SOC	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.71
DPN	D-PHENYLALANINE	I	1ABJ	0.71
DPN	D-PHENYLALANINE	P	1DWE	0.71
DPN	D-PHENYLALANINE	I,M	1HLT	0.71
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.71
DPN	D-PHENYLALANINE	I,T	1TMB	0.71
DPN	D-PHENYLALANINE	A	2JRY	0.71
DPN	D-PHENYLALANINE	A	2SOC	0.71
DPN	D-PHENYLALANINE	A	2YYF	0.71
DPN	D-PHENYLALANINE	I	2HGT	0.71
DPN	D-PHENYLALANINE	A,D	2Q3I	0.71
DPN	D-PHENYLALANINE	A,P	1MCD	0.71
DPN	D-PHENYLALANINE	P	1HAO	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.71
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.71
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.71
DPN	D-PHENYLALANINE	P	1NRR	0.71
DPN	D-PHENYLALANINE	I	1PPB	0.71
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.71
DPN	D-PHENYLALANINE	I	2HPP	0.71
DPN	D-PHENYLALANINE	B,C	2OD3	0.71
DPN	D-PHENYLALANINE	A	1B0Q	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.71
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.71
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.71
DPN	D-PHENYLALANINE	A	1GO9	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.71
DPN	D-PHENYLALANINE	P	1MCF	0.71
DPN	D-PHENYLALANINE	A	2RME	0.71
DPN	D-PHENYLALANINE	H,I	1TMT	0.71
DPN	D-PHENYLALANINE	I	1ABI	0.71
DPN	D-PHENYLALANINE	R	1NRQ	0.71
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.71
DPN	D-PHENYLALANINE	A,B	2Q33	0.71
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.71
DPN	D-PHENYLALANINE	P	1MCE	0.71
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.71
DPN	D-PHENYLALANINE	A	2RMI	0.71
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.71
DPN	D-PHENYLALANINE	A	1W7M	0.71
DPN	D-PHENYLALANINE	P	1HAP	0.71
DPN	D-PHENYLALANINE	A,B	1ORF	0.71
DPN	D-PHENYLALANINE	I	1IHS	0.71
DPN	D-PHENYLALANINE	P	1MCC	0.71
DPN	D-PHENYLALANINE	A	2RMD	0.71
DPN	D-PHENYLALANINE	A	2JQB	0.71
DPN	D-PHENYLALANINE	I	2HPQ	0.71
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.71
DPN	D-PHENYLALANINE	A,I	1CVR	0.71
DPN	D-PHENYLALANINE	L,P	1AUT	0.71
DPN	D-PHENYLALANINE	P	1MCI	0.71
DPN	D-PHENYLALANINE	H,I	3F6U	0.71
DPN	D-PHENYLALANINE	A	1BFW	0.71
DPN	D-PHENYLALANINE	H,I	1HAI	0.71
DPN	D-PHENYLALANINE	B,C	2THF	0.71
DPN	D-PHENYLALANINE	I	1IHT	0.71
DPN	D-PHENYLALANINE	A,P	1MCJ	0.71
DPN	D-PHENYLALANINE	A	1TKH	0.71
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.71
DPN	D-PHENYLALANINE	A	2FMZ	0.71
DPN	D-PHENYLALANINE	A	1YL9	0.71
DPN	D-PHENYLALANINE	I	1HUT	0.71
DPN	D-PHENYLALANINE	I	1FXY	0.71
DPN	D-PHENYLALANINE	A	1YL8	0.71
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.71
DPN	D-PHENYLALANINE	P	1MCB	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.74
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.72
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.72
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.72
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.77
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.72
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.76
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	0.76
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	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.76
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.7
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.79
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.79
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.7
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.7
4FC		A	1YSG	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.7
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.7
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.74
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
26C		A,B	2F7I	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.79
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72