MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03496395

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
AS4	ALDOSTERONE	A	2AA2	0.73
AS4	ALDOSTERONE	A	2Q1H	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.81
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.81
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.81
0MA	maslinic acid	A	2QN2	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.82
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.85
GR3	3-ACETOXY-17-(1-FORMYL-5-METHYL- 3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14- TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE- 4-CARBOXYLIC ACID	B,D	1AWH	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.81
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.81
2OB	CHOLESTERYL OLEATE	A	2OBD	0.82
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.81
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
ERG	ERGOSTEROL	A	1BXM	0.71
ERG	ERGOSTEROL	A	1ZHZ	0.71
ERG	ERGOSTEROL	A,B	2AIB	0.71
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.79
DEX	DEXAMETHASONE	A,D	1M2Z	0.73
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.74
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.74
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.8
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.8
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.8
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.8
CA4	CYPROTERONE ACETATE	A	2OZ7	0.8
MVB	(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL	A,B,C	1YA8	0.71
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.74