MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396945

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
COV	(1S,3R,5Z,7E,14beta,17alpha)-17- [(2S,4S)-4-(2-hydroxy-2-methylpropyl)- 2-methyltetrahydrofuran-2-yl]-9,10- secoandrosta-5,7,10-triene-1,3- diol	A	3CS4	0.7
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
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.74
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	0.74
AS4	ALDOSTERONE	A	2Q1H	0.74
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.79
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.79
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.79
MOU		A,B	2NPF	0.77
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.76
0AS	asiatic acid	A	2QN1	0.74
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	0.73
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.81
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.81
FUA	FUSIDIC ACID	A	1QCA	0.74
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.74
FUA	FUSIDIC ACID	A,B	2VUF	0.74
SOD		A	2E1R	0.71
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
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	0.78
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.79
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.79
DEX	DEXAMETHASONE	A,D	1M2Z	0.76
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.76
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	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	0.74
TES	TESTOSTERONE	A	1JTV	0.79
TES	TESTOSTERONE	A	2Q7L	0.79
TES	TESTOSTERONE	A	2Q7I	0.79
TES	TESTOSTERONE	A,B	1J96	0.79
TES	TESTOSTERONE	A	2Q7K	0.79
TES	TESTOSTERONE	A,B	1Q13	0.79
TES	TESTOSTERONE	H	1I9J	0.79
TES	TESTOSTERONE	A,B	1AFS	0.79
TES	TESTOSTERONE	H	1VPO	0.79
TES	TESTOSTERONE	A	2Q7J	0.79
TES	TESTOSTERONE	A,B	3BUR	0.79
TES	TESTOSTERONE	A	2AM9	0.79
0MA	maslinic acid	A	2QN2	0.71
0CO	(1S,3R,5Z,7E,14beta,17alpha,23R)- 23-(2-hydroxy-2-methylpropyl)-20,24- epoxy-9,10-secochola-5,7,10-triene- 1,3-diol	A	3CS6	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.75
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.77
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.76
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.76
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.76
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.76
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.78
SXN	Salinixanthin	A,B	3DDL	0.73
OBN	OUABAIN	H,L	1IBG	0.78
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
DOG	DIGOXIGENIN	A	1LKE	0.74
DTX	DIGITOXIGENIN	A	1LNM	0.73
GR4		H,I	1AWF	0.8
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.73
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.81
DGX	DIGOXIN	B,D	1IGJ	0.76
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.79
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.79
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.79