MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02398129

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
CLR	CHOLESTEROL	A,B	2ZXE	0.75
CLR	CHOLESTEROL	A	1N83	0.75
CLR	CHOLESTEROL	A	2RH1	0.75
CLR	CHOLESTEROL	A	1LRI	0.75
CLR	CHOLESTEROL	A	1ZHY	0.75
CLR	CHOLESTEROL	A	3D4S	0.75
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
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	0.74
C0R	CORTICOSTERONE	A	2A3I	0.82
C0R	CORTICOSTERONE	A,B	1Y5R	0.82
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.75
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.75
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.75
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	1S0X	0.73
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A	2Q9F	0.73
C3S	CHOLEST-5-EN-3-YL HYDROGEN SULFATE	A,B,C	2HKA	0.73
VDB	(1R,2S,3R,5Z,7E)-17-{(1R)-1-[(2- ethyl-2-hydroxybutyl)sulfanyl]ethyl}- 2-(2-hydroxyethoxy)-9,10-secoestra- 5,7,16-triene-1,3-diol	A	2ZLA	0.7
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.74
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.71
0MA	maslinic acid	A	2QN2	0.72
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.75
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	0.72
VDA	(1R,2R,3R,5Z)-17-{(1S)-1-[(2-ethyl- 2-hydroxybutyl)sulfanyl]ethyl}- 2-(2-hydroxyethoxy)-9,10-secoestra- 5,7,16-triene-1,3-diol	A	2ZL9	0.7
0AS	asiatic acid	A	2QN1	0.7
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.81
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.81
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.8
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.76
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
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.75
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.75
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.75
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.74
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,B	1J78	0.71
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,D	1MZ9	0.71
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.78
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
ERG	ERGOSTEROL	A	1BXM	0.73
ERG	ERGOSTEROL	A	1ZHZ	0.73
ERG	ERGOSTEROL	A,B	2AIB	0.73
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.74
SNL	SPIRONOLACTONE	A,B	2AB2	0.79
SNL	SPIRONOLACTONE	A,B,C,D,E,F	2OAX	0.79
2OB	CHOLESTERYL OLEATE	A	2OBD	0.74
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.74
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.73
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.82
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.82
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.82
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.82
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.71
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.85
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	0.74
DEX	DEXAMETHASONE	A,D	1M2Z	0.78
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.78
AS4	ALDOSTERONE	A	2AA2	0.79
AS4	ALDOSTERONE	A	2Q1H	0.79
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