MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865044

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
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.78
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.78
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.78
528	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(R)-HYDROXY[(1R)-2-METHYL-1- {[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A,B,C	2PIY	0.7
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.78
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.78
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
791	2-PHENYLMALONIC ACID	A	1O4P	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.73
PBB	S-(4-BROMOBENZYL)CYSTEINE	A,B,C,D	1AQV	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.74
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.74
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.72
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.75
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.71
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.86
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
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.75
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.7
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.74
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.74
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.75
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.75
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.77
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.7
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.7
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.7
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.7
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.71
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
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.75
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.75
ISF		A,B	1PGE	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.71
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.74
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.74
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.71
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.73
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.73
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.72
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	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.72
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.79
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
IBP	IBUPROFEN	A	3FKX	0.8
IBP	IBUPROFEN	A,B	2BXG	0.8
IBP	IBUPROFEN	A,B	1EQG	0.8
IBP	IBUPROFEN	A,B,C	2WD9	0.8
IBP	IBUPROFEN	A	2PWS	0.8
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.76
OAP	4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID	A,B,C,D,E,F	1KVO	0.71
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.73
BFL		A,B	1Q4G	0.78
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.71
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
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.73
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.73
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.73
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.82
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.82
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.82
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.76
FLP	FLURBIPROFEN	A,B	1CQE	0.76
FLP	FLURBIPROFEN	A,B	1EQH	0.76
FLP	FLURBIPROFEN	A,B	2AYL	0.76
FLP	FLURBIPROFEN	A	1DVT	0.76
FLP	FLURBIPROFEN	A	1R9O	0.76
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
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.8
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
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.81
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.76
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.76
HCI	HYDROCINNAMIC ACID	A	1TOI	0.76
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.76
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.76
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.7
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
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.72
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.77
BCS	BENZYLCYSTEINE	A	1EH8	0.77
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.76
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.76
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.76
TIO	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE	E	1ZDP	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.72
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.72
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.73