MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02442463

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
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.73
S1A	SORAPHEN A	A,B	3GID	0.89
S1A	SORAPHEN A	A,B,C	1W96	0.89
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.7
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.7
TB1	(3S)-3-(BENZYLOXY)-L-ASPARTIC ACID	A,B,C	2NWW	0.73
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.7
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	0.71
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
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.7
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FF5	0.7
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FET	0.7
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	0.76
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.72
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	0.72
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	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.72
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.72
SMN	(S)-MANDELIC ACID	A	1MDL	0.75
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.72
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.77
RUT	RUTIN	A,B	1RY8	0.7
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	0.71
OFF	2-DEOXY-3,4-BIS-O-[3-(4-HYDROXYPHENYL)PROPANOYL]- L-THREO-PENTARIC ACID	A	2OFF	0.75
RMN	(R)-MANDELIC ACID	A	1MDL	0.75
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.75
7CA	5,7-DIHYDROXY-2-(4-METHOXYPHENYL)- 8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN- 3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE	A	2H44	0.71
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H	2BFV	0.77
STG	ESTRIOL 3-(B-D-GLUCURONIDE)	H,L	1BFV	0.77
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.71
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
BAD	(1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside	A	2QJE	0.74
E3G	ESTRONE BETA-D-GLUCURONIDE	H,L	1CFV	0.76
PH5	2-PHENYL-PROP5AC	A,B	2BVE	0.73