MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02825905

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
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.75
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.77
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.72
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.72
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.72
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.72
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.72
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.75
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.75
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.7
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.72
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.72
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.71
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.71
FIL	(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME	A,B	1XLZ	0.74
2LP	2-ALLYLPHENOL	A	1OV5	0.71
505	(2R)-1-(2,6-dimethylphenoxy)propan- 2-amine	A	2VIN	0.75
STH	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL	A,B,C,D	1XKL	0.73
HV7	1-METHYLAMINE-2-HYDROXY-4-METHOXY- BENZENE	C	1A8G	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.74
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.73
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.7
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.7
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.7
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.7
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.8
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.7
MR1	1-(1,3-BENZODIOXOL-5-YL)METHANAMINE	A	2ORQ	0.7
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.7
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.7
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.72
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.7
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.7
3AC	(2E)-3-{3-[(5-ETHYL-3-IODO-6-METHYL- 2-OXO-1,2-DIHYDROPYRIDIN-4-YL)OXY]PHENYL}ACRYLONITRILE	A	2B5J	0.71
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.72
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.72
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.72
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.72
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.74
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.74
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.75
CMZ	(2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol	A	2OF0	0.71
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.71
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.72
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
MBD	3-METHYLCATECHOL	A	1KNF	0.71
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.74
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.78
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.77
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.75
COU	COUMARIN	A	3CRB	0.78
COU	COUMARIN	A	2PMJ	0.78
COU	COUMARIN	A	2H90	0.78
COU	COUMARIN	A,B,C,D	1Z10	0.78
COU	COUMARIN	A	2PWB	0.78