MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02455642

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
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.76
0AS	asiatic acid	A	2QN1	0.75
CO1	17-[3-(3,3-DIMETHYL-OXIRANYL)-1- METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 3-OL	A,B	1P8D	0.71
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.8
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.8
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.74
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.82
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	1S0X	0.74
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	2Q9F	0.74
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A,B,C	2HKA	0.74
CLR	CHOLESTEROL	A,B	2ZXE	0.74
CLR	CHOLESTEROL	A	1N83	0.74
CLR	CHOLESTEROL	A	2RH1	0.74
CLR	CHOLESTEROL	A	1LRI	0.74
CLR	CHOLESTEROL	A	1ZHY	0.74
CLR	CHOLESTEROL	A	3D4S	0.74
2OB	CHOLESTERYL OLEATE	A	2OBD	0.88
CA4	CYPROTERONE ACETATE	A	2OZ7	0.72
0MA	maslinic acid	A	2QN2	0.75
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.88
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.8
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.8
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.8
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
AS4	ALDOSTERONE	A	2AA2	0.72
AS4	ALDOSTERONE	A	2Q1H	0.72
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.79
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.79
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.79
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.79
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.78
ERG	ERGOSTEROL	A	1BXM	0.72
ERG	ERGOSTEROL	A	1ZHZ	0.72
ERG	ERGOSTEROL	A,B	2AIB	0.72
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.71