MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02825638

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
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.77
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.75
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.76
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.72
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.72
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
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.71
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.71
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.75
OXE	ORTHO-XYLENE	A,B	3E0X	0.7
OXE	ORTHO-XYLENE	A	188L	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.85
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.85
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.78
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.73
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.73
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.73
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.73
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.73
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.73
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.73
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.73
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.73
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.7
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
FPR	PROPYLBENZENE	C	1RHK	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.79
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.79
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.79
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
I4B	ISOBUTYLBENZENE	A	184L	0.75
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.74
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.74
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.73
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.71
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	0.74
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
BFL		A,B	1Q4G	0.78
791	2-PHENYLMALONIC ACID	A	1O4P	0.76
1LP	TRANYLCYPROMINE	A,B	1OJB	0.72
IBP	IBUPROFEN	A	3FKX	0.82
IBP	IBUPROFEN	A,B	2BXG	0.82
IBP	IBUPROFEN	A,B	1EQG	0.82
IBP	IBUPROFEN	A,B,C	2WD9	0.82
IBP	IBUPROFEN	A	2PWS	0.82
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
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.73
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.73
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.82
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.82
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.82
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.82
HCI	HYDROCINNAMIC ACID	A	1TOI	0.82
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.82
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.82
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.74
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.76
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
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.8
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.7
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.76
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
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.72
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.72
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.72
PEL	2-PHENYL-ETHANOL	A	1EYW	0.72
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.72
N4B	N-BUTYLBENZENE	A	186L	0.72
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.75
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.72
PYL	PHENYLETHANE	C	1B07	0.72
PYL	PHENYLETHANE	A,B	2VRM	0.72
PYL	PHENYLETHANE	A	1NHB	0.72
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.81
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.83
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.72
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.81
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.81
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.81
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.83
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.81