MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03209431

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
CLR	CHOLESTEROL	A,B	2ZXE	0.73
CLR	CHOLESTEROL	A	1N83	0.73
CLR	CHOLESTEROL	A	2RH1	0.73
CLR	CHOLESTEROL	A	1LRI	0.73
CLR	CHOLESTEROL	A	1ZHY	0.73
CLR	CHOLESTEROL	A	3D4S	0.73
LAN	LANOSTEROL	A	1W6K	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.83
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.83
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.88
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.88
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.88
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
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	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
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.82
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.82
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.82
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
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.76
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.83
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.72
GR4		H,I	1AWF	0.73
C0R	CORTICOSTERONE	A	2A3I	0.94
C0R	CORTICOSTERONE	A,B	1Y5R	0.94
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	0.85
DEX	DEXAMETHASONE	A,D	1M2Z	0.87
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.87
AS4	ALDOSTERONE	A	2AA2	0.99
AS4	ALDOSTERONE	A	2Q1H	0.99
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.82
0MA	maslinic acid	A	2QN2	0.71
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.78
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.72
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.72
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.72
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.72
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.72
2OB	CHOLESTERYL OLEATE	A	2OBD	0.72
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
FUA	FUSIDIC ACID	A	1QCA	0.71
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.71
FUA	FUSIDIC ACID	A,B	2VUF	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.84
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.84
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.84
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.84
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.84
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.86
TES	TESTOSTERONE	A	1JTV	0.88
TES	TESTOSTERONE	A	2Q7L	0.88
TES	TESTOSTERONE	A	2Q7I	0.88
TES	TESTOSTERONE	A,B	1J96	0.88
TES	TESTOSTERONE	A	2Q7K	0.88
TES	TESTOSTERONE	A,B	1Q13	0.88
TES	TESTOSTERONE	H	1I9J	0.88
TES	TESTOSTERONE	A,B	1AFS	0.88
TES	TESTOSTERONE	H	1VPO	0.88
TES	TESTOSTERONE	A	2Q7J	0.88
TES	TESTOSTERONE	A,B	3BUR	0.88
TES	TESTOSTERONE	A	2AM9	0.88
0AS	asiatic acid	A	2QN1	0.71
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.76
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.76
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.89
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.9
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.9
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.9
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.9
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.73
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.73
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.79
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.79
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.79
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.79
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.72
ERG	ERGOSTEROL	A	1BXM	0.7
ERG	ERGOSTEROL	A	1ZHZ	0.7
ERG	ERGOSTEROL	A,B	2AIB	0.7
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.91
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.91
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.79