MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130650

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
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.88
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.73
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.73
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
SNL	SPIRONOLACTONE	A,B	2AB2	0.75
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.75
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.73
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.73
STR	PROGESTERONE	A	1H60	0.73
STR	PROGESTERONE	A,B,C	1YA3	0.73
STR	PROGESTERONE	A,B	2AA6	0.73
STR	PROGESTERONE	A	1MRQ	0.73
STR	PROGESTERONE	A,B	1A28	0.73
STR	PROGESTERONE	A,B	2AA5	0.73
STR	PROGESTERONE	A	2HZQ	0.73
STR	PROGESTERONE	A	1W0F	0.73
STR	PROGESTERONE	A	2ABA	0.73
STR	PROGESTERONE	A,B	3COT	0.73
STR	PROGESTERONE	H	1DBB	0.73
STR	PROGESTERONE	H,L	2O5Y	0.73
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
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
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.72
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	0.7
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
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
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.73
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.77
DTX	DIGITOXIGENIN	A	1LNM	0.7
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
0MA	maslinic acid	A	2QN2	0.81
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.73
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.73
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.84
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.81
DEX	DEXAMETHASONE	A,D	1M2Z	0.72
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.72
2OB	CHOLESTERYL OLEATE	A	2OBD	0.84
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.88
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.88
803	LOVASTATIN	A,B	1CQP	0.71
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.78
0AS	asiatic acid	A	2QN1	0.81
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