MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02214970

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
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.72
AC0	1-PHENYLETHANONE	A	1ZK1	0.7
AC0	1-PHENYLETHANONE	A	1ZK4	0.7
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
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
0A9	methyl L-phenylalaninate	A	1AY2	0.75
0A9	methyl L-phenylalaninate	I	5ER1	0.75
0A9	methyl L-phenylalaninate	I,P	1HDT	0.75
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.78
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.75
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.75
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.75
3PL	3-PHENYLPROPANAL	E	1Y3G	0.76
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
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.7
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.7
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.76
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.83
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.83
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.83
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.79
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.85
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.85
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.85
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.84
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.84
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.84
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.84
HCI	HYDROCINNAMIC ACID	A	1TOI	0.84
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.84
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.84
TRZ	TRAZEOLIDE	A	1C12	0.71
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.72
DPN	D-PHENYLALANINE	P	1MCS	0.7
DPN	D-PHENYLALANINE	A	1GOE	0.7
DPN	D-PHENYLALANINE	A	2RM9	0.7
DPN	D-PHENYLALANINE	A	1SOC	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.7
DPN	D-PHENYLALANINE	I	1ABJ	0.7
DPN	D-PHENYLALANINE	P	1DWE	0.7
DPN	D-PHENYLALANINE	I,M	1HLT	0.7
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.7
DPN	D-PHENYLALANINE	I,T	1TMB	0.7
DPN	D-PHENYLALANINE	A	2JRY	0.7
DPN	D-PHENYLALANINE	A	2SOC	0.7
DPN	D-PHENYLALANINE	A	2YYF	0.7
DPN	D-PHENYLALANINE	I	2HGT	0.7
DPN	D-PHENYLALANINE	A,D	2Q3I	0.7
DPN	D-PHENYLALANINE	A,P	1MCD	0.7
DPN	D-PHENYLALANINE	P	1HAO	0.7
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.7
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.7
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.7
DPN	D-PHENYLALANINE	P	1NRR	0.7
DPN	D-PHENYLALANINE	I	1PPB	0.7
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.7
DPN	D-PHENYLALANINE	I	2HPP	0.7
DPN	D-PHENYLALANINE	B,C	2OD3	0.7
DPN	D-PHENYLALANINE	A	1B0Q	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.7
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.7
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.7
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.7
DPN	D-PHENYLALANINE	A	1GO9	0.7
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.7
DPN	D-PHENYLALANINE	P	1MCF	0.7
DPN	D-PHENYLALANINE	A	2RME	0.7
DPN	D-PHENYLALANINE	H,I	1TMT	0.7
DPN	D-PHENYLALANINE	I	1ABI	0.7
DPN	D-PHENYLALANINE	R	1NRQ	0.7
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.7
DPN	D-PHENYLALANINE	A,B	2Q33	0.7
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.7
DPN	D-PHENYLALANINE	P	1MCE	0.7
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.7
DPN	D-PHENYLALANINE	A	2RMI	0.7
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.7
DPN	D-PHENYLALANINE	A	1W7M	0.7
DPN	D-PHENYLALANINE	P	1HAP	0.7
DPN	D-PHENYLALANINE	A,B	1ORF	0.7
DPN	D-PHENYLALANINE	I	1IHS	0.7
DPN	D-PHENYLALANINE	P	1MCC	0.7
DPN	D-PHENYLALANINE	A	2RMD	0.7
DPN	D-PHENYLALANINE	A	2JQB	0.7
DPN	D-PHENYLALANINE	I	2HPQ	0.7
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.7
DPN	D-PHENYLALANINE	A,I	1CVR	0.7
DPN	D-PHENYLALANINE	L,P	1AUT	0.7
DPN	D-PHENYLALANINE	P	1MCI	0.7
DPN	D-PHENYLALANINE	H,I	3F6U	0.7
DPN	D-PHENYLALANINE	A	1BFW	0.7
DPN	D-PHENYLALANINE	H,I	1HAI	0.7
DPN	D-PHENYLALANINE	B,C	2THF	0.7
DPN	D-PHENYLALANINE	I	1IHT	0.7
DPN	D-PHENYLALANINE	A,P	1MCJ	0.7
DPN	D-PHENYLALANINE	A	1TKH	0.7
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.7
DPN	D-PHENYLALANINE	A	2FMZ	0.7
DPN	D-PHENYLALANINE	A	1YL9	0.7
DPN	D-PHENYLALANINE	I	1HUT	0.7
DPN	D-PHENYLALANINE	I	1FXY	0.7
DPN	D-PHENYLALANINE	A	1YL8	0.7
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.7
DPN	D-PHENYLALANINE	P	1MCB	0.7
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.72
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.78
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	0.78
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.78
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	0.78
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	0.78
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.78
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.78
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.78
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.78
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.85
BFL		A,B	1Q4G	0.8
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.72
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.85
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.79
PAC	2-PHENYLACETIC ACID	B	1PNL	0.81
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.81
PAC	2-PHENYLACETIC ACID	B	1FXH	0.81
PAC	2-PHENYLACETIC ACID	A	2ISF	0.81
PAC	2-PHENYLACETIC ACID	A	2INE	0.81
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.73
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.74
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.83
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.8
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.76
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.76
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.87
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.87
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.87
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.87
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.87
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.87
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.81
1LP	TRANYLCYPROMINE	A,B	1OJB	0.78
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.81
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.79
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.79
IBP	IBUPROFEN	A	3FKX	0.83
IBP	IBUPROFEN	A,B	2BXG	0.83
IBP	IBUPROFEN	A,B	1EQG	0.83
IBP	IBUPROFEN	A,B,C	2WD9	0.83
IBP	IBUPROFEN	A	2PWS	0.83
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.72
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
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.76
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.75
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.78
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.78
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.81
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.7
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.7
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.7
PEL	2-PHENYL-ETHANOL	A	1EYW	0.7
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7