MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03082651

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
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.74
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
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.72
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.7
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.7
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.8
4TB	4-(2-THIENYL)BUTYRIC ACID	A,B	2AY8	0.72
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.71
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.71
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.8
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.8
PAC	2-PHENYLACETIC ACID	B	1FXH	0.8
PAC	2-PHENYLACETIC ACID	A	2ISF	0.8
PAC	2-PHENYLACETIC ACID	A	2INE	0.8
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.73
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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	1
791	2-PHENYLMALONIC ACID	A	1O4P	0.78
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.91
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
BFL		A,B	1Q4G	0.79
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.74
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
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.75
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.71
DPN	D-PHENYLALANINE	P	1MCS	0.74
DPN	D-PHENYLALANINE	A	1GOE	0.74
DPN	D-PHENYLALANINE	A	2RM9	0.74
DPN	D-PHENYLALANINE	A	1SOC	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.74
DPN	D-PHENYLALANINE	I	1ABJ	0.74
DPN	D-PHENYLALANINE	P	1DWE	0.74
DPN	D-PHENYLALANINE	I,M	1HLT	0.74
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.74
DPN	D-PHENYLALANINE	I,T	1TMB	0.74
DPN	D-PHENYLALANINE	A	2JRY	0.74
DPN	D-PHENYLALANINE	A	2SOC	0.74
DPN	D-PHENYLALANINE	A	2YYF	0.74
DPN	D-PHENYLALANINE	I	2HGT	0.74
DPN	D-PHENYLALANINE	A,D	2Q3I	0.74
DPN	D-PHENYLALANINE	A,P	1MCD	0.74
DPN	D-PHENYLALANINE	P	1HAO	0.74
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.74
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.74
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.74
DPN	D-PHENYLALANINE	P	1NRR	0.74
DPN	D-PHENYLALANINE	I	1PPB	0.74
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.74
DPN	D-PHENYLALANINE	I	2HPP	0.74
DPN	D-PHENYLALANINE	B,C	2OD3	0.74
DPN	D-PHENYLALANINE	A	1B0Q	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.74
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.74
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.74
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.74
DPN	D-PHENYLALANINE	A	1GO9	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.74
DPN	D-PHENYLALANINE	P	1MCF	0.74
DPN	D-PHENYLALANINE	A	2RME	0.74
DPN	D-PHENYLALANINE	H,I	1TMT	0.74
DPN	D-PHENYLALANINE	I	1ABI	0.74
DPN	D-PHENYLALANINE	R	1NRQ	0.74
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.74
DPN	D-PHENYLALANINE	A,B	2Q33	0.74
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.74
DPN	D-PHENYLALANINE	P	1MCE	0.74
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.74
DPN	D-PHENYLALANINE	A	2RMI	0.74
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.74
DPN	D-PHENYLALANINE	A	1W7M	0.74
DPN	D-PHENYLALANINE	P	1HAP	0.74
DPN	D-PHENYLALANINE	A,B	1ORF	0.74
DPN	D-PHENYLALANINE	I	1IHS	0.74
DPN	D-PHENYLALANINE	P	1MCC	0.74
DPN	D-PHENYLALANINE	A	2RMD	0.74
DPN	D-PHENYLALANINE	A	2JQB	0.74
DPN	D-PHENYLALANINE	I	2HPQ	0.74
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.74
DPN	D-PHENYLALANINE	A,I	1CVR	0.74
DPN	D-PHENYLALANINE	L,P	1AUT	0.74
DPN	D-PHENYLALANINE	P	1MCI	0.74
DPN	D-PHENYLALANINE	H,I	3F6U	0.74
DPN	D-PHENYLALANINE	A	1BFW	0.74
DPN	D-PHENYLALANINE	H,I	1HAI	0.74
DPN	D-PHENYLALANINE	B,C	2THF	0.74
DPN	D-PHENYLALANINE	I	1IHT	0.74
DPN	D-PHENYLALANINE	A,P	1MCJ	0.74
DPN	D-PHENYLALANINE	A	1TKH	0.74
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.74
DPN	D-PHENYLALANINE	A	2FMZ	0.74
DPN	D-PHENYLALANINE	A	1YL9	0.74
DPN	D-PHENYLALANINE	I	1HUT	0.74
DPN	D-PHENYLALANINE	I	1FXY	0.74
DPN	D-PHENYLALANINE	A	1YL8	0.74
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.74
DPN	D-PHENYLALANINE	P	1MCB	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.74
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.81
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.81
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.81
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.79
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.85
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.85
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
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.84
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.84
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.83
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.79
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.79
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	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.73
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.9
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
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.82
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.82
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.82
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.73
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.73
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.72
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.73
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.83
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.83
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.83
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.83
HCI	HYDROCINNAMIC ACID	A	1TOI	0.83
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.83
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.83
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.72
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.72
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.71
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.74
BCS	BENZYLCYSTEINE	A	1EH8	0.74
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
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.71
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.74
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.74
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
ISF		A,B	1PGE	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.73
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.75
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.81
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
PHI	IODO-PHENYLALANINE	A	1TF9	0.72
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.72
PHI	IODO-PHENYLALANINE	A	1T6H	0.72
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.72
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.72
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.72
PHI	IODO-PHENYLALANINE	P	1CZI	0.72
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.73
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.71
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.72