MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02172132

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
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.71
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	0.78
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.84
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.84
CA4	CYPROTERONE ACETATE	A	2OZ7	0.78
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.84
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.84
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.79
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.76
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.71
NTH	SUCCINIC ACID MONO-(13-METHYL-3- OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17- TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN- 17-YL) ESTER	A,B	1BUQ	0.85
AS4	ALDOSTERONE	A	2AA2	0.74
AS4	ALDOSTERONE	A	2Q1H	0.74
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.76
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.76
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.82
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.82
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.82
SNL	SPIRONOLACTONE	A,B	2AB2	0.85
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.85
DOG	DIGOXIGENIN	A	1LKE	0.71
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.86
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.86
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.86
FUA	FUSIDIC ACID	A	1QCA	0.75
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.75
FUA	FUSIDIC ACID	A,B	2VUF	0.75
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.82
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.82
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.82
DEX	DEXAMETHASONE	A,D	1M2Z	0.76
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.76
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.77
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.77
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.81
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.81
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.81
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.81
0MA	maslinic acid	A	2QN2	0.71
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.9
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.78
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.73
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.73
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.73
2OB	CHOLESTERYL OLEATE	A	2OBD	0.86
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	0.72
DTX	DIGITOXIGENIN	A	1LNM	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.86
0AS	asiatic acid	A	2QN1	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.77
TES	TESTOSTERONE	A	1JTV	0.82
TES	TESTOSTERONE	A	2Q7L	0.82
TES	TESTOSTERONE	A	2Q7I	0.82
TES	TESTOSTERONE	A,B	1J96	0.82
TES	TESTOSTERONE	A	2Q7K	0.82
TES	TESTOSTERONE	A,B	1Q13	0.82
TES	TESTOSTERONE	H	1I9J	0.82
TES	TESTOSTERONE	A,B	1AFS	0.82
TES	TESTOSTERONE	H	1VPO	0.82
TES	TESTOSTERONE	A	2Q7J	0.82
TES	TESTOSTERONE	A,B	3BUR	0.82
TES	TESTOSTERONE	A	2AM9	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.78
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.78
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.84
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.86
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.76
C0R	CORTICOSTERONE	A	2A3I	0.78
C0R	CORTICOSTERONE	A,B	1Y5R	0.78
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.77
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.77
STR	PROGESTERONE	A	1H60	0.82
STR	PROGESTERONE	A,B,C	1YA3	0.82
STR	PROGESTERONE	A,B	2AA6	0.82
STR	PROGESTERONE	A	1MRQ	0.82
STR	PROGESTERONE	A,B	1A28	0.82
STR	PROGESTERONE	A,B	2AA5	0.82
STR	PROGESTERONE	A	2HZQ	0.82
STR	PROGESTERONE	A	1W0F	0.82
STR	PROGESTERONE	A	2ABA	0.82
STR	PROGESTERONE	A,B	3COT	0.82
STR	PROGESTERONE	H	1DBB	0.82
STR	PROGESTERONE	H,L	2O5Y	0.82