MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02451649

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	0.77
BFL		A,B	1Q4G	0.76
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.84
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.84
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.84
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
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.73
OX4	3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOW	0.7
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
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.72
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.72
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.77
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.75
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.77
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.74
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.74
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.73
IBP	IBUPROFEN	A	3FKX	0.77
IBP	IBUPROFEN	A,B	2BXG	0.77
IBP	IBUPROFEN	A,B	1EQG	0.77
IBP	IBUPROFEN	A,B,C	2WD9	0.77
IBP	IBUPROFEN	A	2PWS	0.77
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.71
APA	AMIDO PHENYL PYRUVIC ACID	H,I	1AHT	0.74
APA	AMIDO PHENYL PYRUVIC ACID	A,B,C,D	1A0L	0.74
APA	AMIDO PHENYL PYRUVIC ACID	A	1TPP	0.74
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.75
APM	M-AMIDINOPHENYL-3-ALANINE	E	1PPH	0.73
DPN	D-PHENYLALANINE	P	1MCS	0.75
DPN	D-PHENYLALANINE	A	1GOE	0.75
DPN	D-PHENYLALANINE	A	2RM9	0.75
DPN	D-PHENYLALANINE	A	1SOC	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.75
DPN	D-PHENYLALANINE	I	1ABJ	0.75
DPN	D-PHENYLALANINE	P	1DWE	0.75
DPN	D-PHENYLALANINE	I,M	1HLT	0.75
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.75
DPN	D-PHENYLALANINE	I,T	1TMB	0.75
DPN	D-PHENYLALANINE	A	2JRY	0.75
DPN	D-PHENYLALANINE	A	2SOC	0.75
DPN	D-PHENYLALANINE	A	2YYF	0.75
DPN	D-PHENYLALANINE	I	2HGT	0.75
DPN	D-PHENYLALANINE	A,D	2Q3I	0.75
DPN	D-PHENYLALANINE	A,P	1MCD	0.75
DPN	D-PHENYLALANINE	P	1HAO	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.75
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.75
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.75
DPN	D-PHENYLALANINE	P	1NRR	0.75
DPN	D-PHENYLALANINE	I	1PPB	0.75
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.75
DPN	D-PHENYLALANINE	I	2HPP	0.75
DPN	D-PHENYLALANINE	B,C	2OD3	0.75
DPN	D-PHENYLALANINE	A	1B0Q	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.75
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.75
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.75
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.75
DPN	D-PHENYLALANINE	A	1GO9	0.75
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.75
DPN	D-PHENYLALANINE	P	1MCF	0.75
DPN	D-PHENYLALANINE	A	2RME	0.75
DPN	D-PHENYLALANINE	H,I	1TMT	0.75
DPN	D-PHENYLALANINE	I	1ABI	0.75
DPN	D-PHENYLALANINE	R	1NRQ	0.75
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.75
DPN	D-PHENYLALANINE	A,B	2Q33	0.75
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.75
DPN	D-PHENYLALANINE	P	1MCE	0.75
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.75
DPN	D-PHENYLALANINE	A	2RMI	0.75
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.75
DPN	D-PHENYLALANINE	A	1W7M	0.75
DPN	D-PHENYLALANINE	P	1HAP	0.75
DPN	D-PHENYLALANINE	A,B	1ORF	0.75
DPN	D-PHENYLALANINE	I	1IHS	0.75
DPN	D-PHENYLALANINE	P	1MCC	0.75
DPN	D-PHENYLALANINE	A	2RMD	0.75
DPN	D-PHENYLALANINE	A	2JQB	0.75
DPN	D-PHENYLALANINE	I	2HPQ	0.75
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.75
DPN	D-PHENYLALANINE	A,I	1CVR	0.75
DPN	D-PHENYLALANINE	L,P	1AUT	0.75
DPN	D-PHENYLALANINE	P	1MCI	0.75
DPN	D-PHENYLALANINE	H,I	3F6U	0.75
DPN	D-PHENYLALANINE	A	1BFW	0.75
DPN	D-PHENYLALANINE	H,I	1HAI	0.75
DPN	D-PHENYLALANINE	B,C	2THF	0.75
DPN	D-PHENYLALANINE	I	1IHT	0.75
DPN	D-PHENYLALANINE	A,P	1MCJ	0.75
DPN	D-PHENYLALANINE	A	1TKH	0.75
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.75
DPN	D-PHENYLALANINE	A	2FMZ	0.75
DPN	D-PHENYLALANINE	A	1YL9	0.75
DPN	D-PHENYLALANINE	I	1HUT	0.75
DPN	D-PHENYLALANINE	I	1FXY	0.75
DPN	D-PHENYLALANINE	A	1YL8	0.75
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.75
DPN	D-PHENYLALANINE	P	1MCB	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.73
HDI	3-(4-HYDROXYPHENYL)-4,5-DIHYDRO- 5-ISOXAZOLE-ACETIC ACID METHYL ESTER	A,B,C	1LJT	0.75
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.73
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
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.76
PHI	IODO-PHENYLALANINE	A	1TF9	0.73
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.73
PHI	IODO-PHENYLALANINE	A	1T6H	0.73
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.73
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.73
PHI	IODO-PHENYLALANINE	P	1CZI	0.73
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.7
OX3	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOH	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.73
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.73
M08	(5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec- 2-ene-8,9,10-triol	A	2QRH	0.71
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
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.72
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.72
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	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
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
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.79
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.73
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.73
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.73
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.73
0A9	methyl L-phenylalaninate	A	1AY2	0.71
0A9	methyl L-phenylalaninate	I	5ER1	0.71
0A9	methyl L-phenylalaninate	I,P	1HDT	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.79
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.75
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
APH	P-AMIDINOPHENYL-3-ALANINE	E,I	1PPC	0.73
APH	P-AMIDINOPHENYL-3-ALANINE	H	1ETS	0.73
APH	P-AMIDINOPHENYL-3-ALANINE	H	1ETT	0.73
APH	P-AMIDINOPHENYL-3-ALANINE	I	1QUR	0.73
IM3	(2E)-3-(3,4-DIHYDROXYPHENYL)-2- IMINOPROPANOIC ACID	A,B,C,D	2E82	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.82
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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.82
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
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.7