MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03003266

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
SS1	1-PHENYLETHANOL	H	1UM5	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.74
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.76
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.85
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.71
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F, G,H,I,J,K,L	2PIS	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.7
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.7
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.76
SMN	(S)-MANDELIC ACID	A	1MDL	0.73
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.72
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.87
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.87
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.87
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.87
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.87
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.87
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.87
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.87
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.87
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.87
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.71
SEM	3-AMINO-4-OXYBENZYL-2-BUTANONE	A,B	1THE	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.72
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.8
959	benzyl (2-oxopropyl)carbamate	A	3D62	0.72
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
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.8
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.72
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.7
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.7
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
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.76
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.72
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.7
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.71
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.71
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.71
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.75
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1BLH	0.71
FOS	[[N-(BENZYLOXYCARBONYL)AMINO]METHYL]PHOSPHATE	A	1AXB	0.71
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.7
COU	COUMARIN	A	3CRB	0.7
COU	COUMARIN	A	2PMJ	0.7
COU	COUMARIN	A	2H90	0.7
COU	COUMARIN	A,B,C,D	1Z10	0.7
COU	COUMARIN	A	2PWB	0.7