MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02425691

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
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
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.8
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.8
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.73
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
8PG	(8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID	A,B	2G5W	0.71
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
AS4	ALDOSTERONE	A	2AA2	0.84
AS4	ALDOSTERONE	A	2Q1H	0.84
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.81
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
0MA	maslinic acid	A	2QN2	0.72
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	0.75
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
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.72
803	LOVASTATIN	A,B	1CQP	0.72
DEX	DEXAMETHASONE	A,D	1M2Z	0.87
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.87
ERG	ERGOSTEROL	A	1BXM	0.71
ERG	ERGOSTEROL	A	1ZHZ	0.71
ERG	ERGOSTEROL	A,B	2AIB	0.71
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.86
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
WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)- 15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}- 3,11,12-trihydroxy-2,16-dioxo-13,20- epoxypicras-3-en-21-oate	0,1,2,3,9,A, B,C,F,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	3G71	0.71
AXT	ASTAXANTHIN	A,B	1GKA	0.72
2OB	CHOLESTERYL OLEATE	A	2OBD	0.72
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	0.7
PRB	13-ACETYLPHORBOL	A	1PTR	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
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.78
C0R	CORTICOSTERONE	A	2A3I	0.85
C0R	CORTICOSTERONE	A,B	1Y5R	0.85
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.72
O1C	2ALPHA-(3-HYDROXYPROPYL)-1ALPHA,25- DIHYDROXYVITAMIN D3	A	2HB7	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.86
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.86
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.86
CLR	CHOLESTEROL	A,B	2ZXE	0.71
CLR	CHOLESTEROL	A	1N83	0.71
CLR	CHOLESTEROL	A	2RH1	0.71
CLR	CHOLESTEROL	A	1LRI	0.71
CLR	CHOLESTEROL	A	1ZHY	0.71
CLR	CHOLESTEROL	A	3D4S	0.71
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.85
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.73
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.73
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.76
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.76
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.76
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.86
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.86
B2S	(3alpha,7alpha)-3,7,15-trihydroxy- 12,13-epoxytrichothec-9-en-8-one	A	3B2S	0.73
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.76
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	0.71
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.75
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.72
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.72
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.86
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.86
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