MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03337291

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
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.74
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.74
AS4	ALDOSTERONE	A	2AA2	0.73
AS4	ALDOSTERONE	A	2Q1H	0.73
0MA	maslinic acid	A	2QN2	0.7
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.74
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.76
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.84
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.84
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.84
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.77
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.77
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.77
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.77
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.83
0AS	asiatic acid	A	2QN1	0.7
2OB	CHOLESTERYL OLEATE	A	2OBD	0.83
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
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.76
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.71
DEX	DEXAMETHASONE	A,D	1M2Z	0.71
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.71
FUA	FUSIDIC ACID	A	1QCA	0.73
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.73
FUA	FUSIDIC ACID	A,B	2VUF	0.73
STR	PROGESTERONE	A	1H60	0.74
STR	PROGESTERONE	A,B,C	1YA3	0.74
STR	PROGESTERONE	A,B	2AA6	0.74
STR	PROGESTERONE	A	1MRQ	0.74
STR	PROGESTERONE	A,B	1A28	0.74
STR	PROGESTERONE	A,B	2AA5	0.74
STR	PROGESTERONE	A	2HZQ	0.74
STR	PROGESTERONE	A	1W0F	0.74
STR	PROGESTERONE	A	2ABA	0.74
STR	PROGESTERONE	A,B	3COT	0.74
STR	PROGESTERONE	H	1DBB	0.74
STR	PROGESTERONE	H,L	2O5Y	0.74
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.7
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	0.76
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.77
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	0.83
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.72
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
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.74
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.74
SNL	SPIRONOLACTONE	A,B	2AB2	0.9
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.9
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.81
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.76
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.76
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.7
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.78
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.72
TES	TESTOSTERONE	A	1JTV	0.8
TES	TESTOSTERONE	A	2Q7L	0.8
TES	TESTOSTERONE	A	2Q7I	0.8
TES	TESTOSTERONE	A,B	1J96	0.8
TES	TESTOSTERONE	A	2Q7K	0.8
TES	TESTOSTERONE	A,B	1Q13	0.8
TES	TESTOSTERONE	H	1I9J	0.8
TES	TESTOSTERONE	A,B	1AFS	0.8
TES	TESTOSTERONE	H	1VPO	0.8
TES	TESTOSTERONE	A	2Q7J	0.8
TES	TESTOSTERONE	A,B	3BUR	0.8
TES	TESTOSTERONE	A	2AM9	0.8