MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02362316

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
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.74
ING	D-[(AMINO)CARBONYL]PHENYLALANINE	A,B	1UF8	0.7
ING	D-[(AMINO)CARBONYL]PHENYLALANINE	A,B,D,E	1HDU	0.7
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.72
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.75
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.8
DPN	D-PHENYLALANINE	P	1MCS	0.77
DPN	D-PHENYLALANINE	A	1GOE	0.77
DPN	D-PHENYLALANINE	A	2RM9	0.77
DPN	D-PHENYLALANINE	A	1SOC	0.77
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.77
DPN	D-PHENYLALANINE	I	1ABJ	0.77
DPN	D-PHENYLALANINE	P	1DWE	0.77
DPN	D-PHENYLALANINE	I,M	1HLT	0.77
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.77
DPN	D-PHENYLALANINE	I,T	1TMB	0.77
DPN	D-PHENYLALANINE	A	2JRY	0.77
DPN	D-PHENYLALANINE	A	2SOC	0.77
DPN	D-PHENYLALANINE	A	2YYF	0.77
DPN	D-PHENYLALANINE	I	2HGT	0.77
DPN	D-PHENYLALANINE	A,D	2Q3I	0.77
DPN	D-PHENYLALANINE	A,P	1MCD	0.77
DPN	D-PHENYLALANINE	P	1HAO	0.77
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.77
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.77
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.77
DPN	D-PHENYLALANINE	P	1NRR	0.77
DPN	D-PHENYLALANINE	I	1PPB	0.77
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.77
DPN	D-PHENYLALANINE	I	2HPP	0.77
DPN	D-PHENYLALANINE	B,C	2OD3	0.77
DPN	D-PHENYLALANINE	A	1B0Q	0.77
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.77
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.77
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.77
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.77
DPN	D-PHENYLALANINE	A	1GO9	0.77
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.77
DPN	D-PHENYLALANINE	P	1MCF	0.77
DPN	D-PHENYLALANINE	A	2RME	0.77
DPN	D-PHENYLALANINE	H,I	1TMT	0.77
DPN	D-PHENYLALANINE	I	1ABI	0.77
DPN	D-PHENYLALANINE	R	1NRQ	0.77
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.77
DPN	D-PHENYLALANINE	A,B	2Q33	0.77
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.77
DPN	D-PHENYLALANINE	P	1MCE	0.77
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.77
DPN	D-PHENYLALANINE	A	2RMI	0.77
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.77
DPN	D-PHENYLALANINE	A	1W7M	0.77
DPN	D-PHENYLALANINE	P	1HAP	0.77
DPN	D-PHENYLALANINE	A,B	1ORF	0.77
DPN	D-PHENYLALANINE	I	1IHS	0.77
DPN	D-PHENYLALANINE	P	1MCC	0.77
DPN	D-PHENYLALANINE	A	2RMD	0.77
DPN	D-PHENYLALANINE	A	2JQB	0.77
DPN	D-PHENYLALANINE	I	2HPQ	0.77
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.77
DPN	D-PHENYLALANINE	A,I	1CVR	0.77
DPN	D-PHENYLALANINE	L,P	1AUT	0.77
DPN	D-PHENYLALANINE	P	1MCI	0.77
DPN	D-PHENYLALANINE	H,I	3F6U	0.77
DPN	D-PHENYLALANINE	A	1BFW	0.77
DPN	D-PHENYLALANINE	H,I	1HAI	0.77
DPN	D-PHENYLALANINE	B,C	2THF	0.77
DPN	D-PHENYLALANINE	I	1IHT	0.77
DPN	D-PHENYLALANINE	A,P	1MCJ	0.77
DPN	D-PHENYLALANINE	A	1TKH	0.77
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.77
DPN	D-PHENYLALANINE	A	2FMZ	0.77
DPN	D-PHENYLALANINE	A	1YL9	0.77
DPN	D-PHENYLALANINE	I	1HUT	0.77
DPN	D-PHENYLALANINE	I	1FXY	0.77
DPN	D-PHENYLALANINE	A	1YL8	0.77
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.77
DPN	D-PHENYLALANINE	P	1MCB	0.77
BFL		A,B	1Q4G	0.76
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
0A9	methyl L-phenylalaninate	A	1AY2	0.73
0A9	methyl L-phenylalaninate	I	5ER1	0.73
0A9	methyl L-phenylalaninate	I,P	1HDT	0.73
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
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
SMN	(S)-MANDELIC ACID	A	1MDL	0.7
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.71
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.77
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.73
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.7
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.77
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.7
NDF	N-(CARBOXYCARBONYL)-D-PHENYLALANINE	A	1YCI	0.71
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.77
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.77
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.73
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.77
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.73
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.75
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.75
791	2-PHENYLMALONIC ACID	A	1O4P	0.74
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.74
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.74
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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.85
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
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.72
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
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.77
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.77
HCI	HYDROCINNAMIC ACID	A	1TOI	0.77
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.77
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.77
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.78
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.75
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
TI1	[2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA	A	1R1I	0.7
TI1	[2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA	A	1QF1	0.7
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
PHI	IODO-PHENYLALANINE	A	1TF9	0.75
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.75
PHI	IODO-PHENYLALANINE	A	1T6H	0.75
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.75
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.75
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.75
PHI	IODO-PHENYLALANINE	P	1CZI	0.75
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
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.73
OAP	4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID	A,B,C,D,E,F	1KVO	0.71
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.8
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.71
PNM	OPEN FORM - PENICILLIN G	A	1GHP	0.71
PNM	OPEN FORM - PENICILLIN G	A	1PWC	0.71
PNM	OPEN FORM - PENICILLIN G	A	1IYQ	0.71
PNM	OPEN FORM - PENICILLIN G	A	1FQG	0.71
PNM	OPEN FORM - PENICILLIN G	A,B,C,D	2J8Y	0.71
PNM	OPEN FORM - PENICILLIN G	A,B,C,D	2JBF	0.71
PNM	OPEN FORM - PENICILLIN G	A	2EX8	0.71
TIO	(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE	E	1ZDP	0.73
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.73
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.76
PBB	S-(4-BROMOBENZYL)CYSTEINE	A,B,C,D	1AQV	0.71
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
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.79
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.79
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.72
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.77
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.79
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.75
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
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.7
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.7
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.7
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.7
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.78
BCS	BENZYLCYSTEINE	A	1EH8	0.78
4BF	4-BROMO-L-PHENYLALANINE	A	2AG6	0.7
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.75
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.75
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.75
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.75
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.75
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.75
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.72
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.74
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.74
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.74
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
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
RMN	(R)-MANDELIC ACID	A	1MDL	0.7
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.7
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