MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02362584

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
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.74
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.74
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
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
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.7
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.72
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.72
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.74
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.75
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.75
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.75
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.77
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.77
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.72
OAP	4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID	A,B,C,D,E,F	1KVO	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.77
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.77
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.75
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.71
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.71
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	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
0A9	methyl L-phenylalaninate	A	1AY2	0.7
0A9	methyl L-phenylalaninate	I	5ER1	0.7
0A9	methyl L-phenylalaninate	I,P	1HDT	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	0.73
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
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.76
BCS	BENZYLCYSTEINE	A	1EH8	0.76
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
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.73
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.73
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.75
FLP	FLURBIPROFEN	A,B	1CQE	0.75
FLP	FLURBIPROFEN	A,B	1EQH	0.75
FLP	FLURBIPROFEN	A,B	2AYL	0.75
FLP	FLURBIPROFEN	A	1DVT	0.75
FLP	FLURBIPROFEN	A	1R9O	0.75
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
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.72
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.74
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.74
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.8
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	0.71
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.81
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
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
BFL		A,B	1Q4G	0.78
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.87
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
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.7
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.81
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.81
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
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	0.71
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.77
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
IBP	IBUPROFEN	A	3FKX	0.81
IBP	IBUPROFEN	A,B	2BXG	0.81
IBP	IBUPROFEN	A,B	1EQG	0.81
IBP	IBUPROFEN	A,B,C	2WD9	0.81
IBP	IBUPROFEN	A	2PWS	0.81
ISF		A,B	1PGE	0.71
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.78
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.75
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.73
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.7
TIO	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE	E	1ZDP	0.72
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.76
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
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.72
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71