MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02805155

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
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.73
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.73
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.73
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.73
TB1	(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID	A,B,C	2NWW	0.73
791	2-PHENYLMALONIC ACID	A	1O4P	0.72
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.73
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.81
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.73
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.72
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
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.74
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.74
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.77
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.72
S1A	SORAPHEN A	A,B	3GID	0.86
S1A	SORAPHEN A	A,B,C	1W96	0.86
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDL	0.7
TMM	1,3,5-BENZENETRICARBOXYLIC ACID	A,B,C,D	1SDK	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.72
RMN	(R)-MANDELIC ACID	A	1MDL	0.79
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.79
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.73
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
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	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.77
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	0.77
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	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.77
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	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	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.78
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.78
SMN	(S)-MANDELIC ACID	A	1MDL	0.79
MAX	MATAIRESINOL	A	2BGM	0.7
VXX	VANILLATE	A,B	1WB6	0.71
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.73
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.72
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2BT4	0.75
RP4	(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3- (PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE- 1-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2CJF	0.7
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate	A,B	2QR9	0.73
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.7
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.7
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FF5	0.71
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FET	0.71
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.7
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.75
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71