MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01333542

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
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.78
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.71
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.7
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.74
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.74
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.7
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.7
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.8
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.81
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.81
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.81
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.81
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.81
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.72
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.7
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
RMN	(R)-MANDELIC ACID	A	1MDL	0.73
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.73
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
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.72
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	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	0.71
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
TB1	(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID	A,B,C	2NWW	0.71
COU	COUMARIN	A	3CRB	0.77
COU	COUMARIN	A	2PMJ	0.77
COU	COUMARIN	A	2H90	0.77
COU	COUMARIN	A,B,C,D	1Z10	0.77
COU	COUMARIN	A	2PWB	0.77
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.7
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.79
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.79
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.77
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.77
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.74
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.74
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.76