MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02445655

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
AE2	AETIOCHOLANOLONE	A	2QP4	0.81
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.81
AE2	AETIOCHOLANOLONE	A	2QP3	0.81
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.81
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.81
AE2	AETIOCHOLANOLONE	H	1DBJ	0.81
AE2	AETIOCHOLANOLONE	A	1OV4	0.81
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	0.71
FUA	FUSIDIC ACID	A	1QCA	0.72
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.72
FUA	FUSIDIC ACID	A,B	2VUF	0.72
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
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	0.73
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.82
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.82
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.74
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.74
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.74
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	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
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,B	1J78	0.72
VDY	3-{2-[1-(5-HYDROXY-1,5-DIMETHYL- HEXYL)-7A-METHYL-OCTAHYDRO-INDEN- 4-YLIDENE]-ETHYLIDENE}-4-METHYLENE- CYCLOHEXANOL	A,D	1MZ9	0.72
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.78
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.78
CLR	CHOLESTEROL	A,B	2ZXE	0.74
CLR	CHOLESTEROL	A	1N83	0.74
CLR	CHOLESTEROL	A	2RH1	0.74
CLR	CHOLESTEROL	A	1LRI	0.74
CLR	CHOLESTEROL	A	1ZHY	0.74
CLR	CHOLESTEROL	A	3D4S	0.74
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
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.71
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.78
AS4	ALDOSTERONE	A	2AA2	0.78
AS4	ALDOSTERONE	A	2Q1H	0.78
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.83
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.79
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.79
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.82
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.82
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.82
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.71
0MA	maslinic acid	A	2QN2	0.74
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.73
ATE	16,17-ANDROSTENE-3-OL	A,B	1XNX	0.72
ERG	ERGOSTEROL	A	1BXM	0.71
ERG	ERGOSTEROL	A	1ZHZ	0.71
ERG	ERGOSTEROL	A,B	2AIB	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.78
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.78
CHD	CHOLIC ACID	A,B	2PNJ	0.78
CHD	CHOLIC ACID	A,B	1HRK	0.78
CHD	CHOLIC ACID	A,B	2PO7	0.78
CHD	CHOLIC ACID	A	2QO6	0.78
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.78
CHD	CHOLIC ACID	A	2AZY	0.78
CHD	CHOLIC ACID	A,B,C	2DQY	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.78
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.78
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.78
CHD	CHOLIC ACID	A	2FT9	0.78
CHD	CHOLIC ACID	A,B	2HRC	0.78
CHD	CHOLIC ACID	A,B	1TW4	0.78
CHD	CHOLIC ACID	A,B	2QD3	0.78
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.78
CHD	CHOLIC ACID	A	2RLC	0.78
CHD	CHOLIC ACID	A,B	1ON5	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.78
CHD	CHOLIC ACID	A,B	2QD4	0.78
CHD	CHOLIC ACID	A	2QO5	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.78
CHD	CHOLIC ACID	A,B	2QD2	0.78
CHD	CHOLIC ACID	A,B,C	3ELZ	0.78
CHD	CHOLIC ACID	A,B	2PO5	0.78
CHD	CHOLIC ACID	A,B	1S9Q	0.78
CHD	CHOLIC ACID	A,B	1EE2	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.78
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.78
CHD	CHOLIC ACID	A,B	2QD5	0.78
CHD	CHOLIC ACID	A,B	3EM0	0.78
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.78
CHD	CHOLIC ACID	A	2QO4	0.78
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.78
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.74
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.81
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.81
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.75
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.75
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.72
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.75
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.74
1NB	2-(2-HYDROXY-CYCLOPENTYL)-PENT- 4-ENAL	P	1BRU	0.71
LAN	LANOSTEROL	A	1W6K	0.72
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.77
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.79
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.79
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.79
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.79
0AS	asiatic acid	A	2QN1	0.76
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
DEX	DEXAMETHASONE	A,D	1M2Z	0.72
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.72
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.73
C0R	CORTICOSTERONE	A	2A3I	0.77
C0R	CORTICOSTERONE	A,B	1Y5R	0.77
TES	TESTOSTERONE	A	1JTV	0.82
TES	TESTOSTERONE	A	2Q7L	0.82
TES	TESTOSTERONE	A	2Q7I	0.82
TES	TESTOSTERONE	A,B	1J96	0.82
TES	TESTOSTERONE	A	2Q7K	0.82
TES	TESTOSTERONE	A,B	1Q13	0.82
TES	TESTOSTERONE	H	1I9J	0.82
TES	TESTOSTERONE	A,B	1AFS	0.82
TES	TESTOSTERONE	H	1VPO	0.82
TES	TESTOSTERONE	A	2Q7J	0.82
TES	TESTOSTERONE	A,B	3BUR	0.82
TES	TESTOSTERONE	A	2AM9	0.82
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.74
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.73
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.74
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.71
2OB	CHOLESTERYL OLEATE	A	2OBD	0.73