MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02508736

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
CHD	CHOLIC ACID	A,B	2PNJ	0.74
CHD	CHOLIC ACID	A,B	1HRK	0.74
CHD	CHOLIC ACID	A,B	2PO7	0.74
CHD	CHOLIC ACID	A	2QO6	0.74
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.74
CHD	CHOLIC ACID	A	2AZY	0.74
CHD	CHOLIC ACID	A,B,C	2DQY	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.74
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.74
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.74
CHD	CHOLIC ACID	A	2FT9	0.74
CHD	CHOLIC ACID	A,B	2HRC	0.74
CHD	CHOLIC ACID	A,B	1TW4	0.74
CHD	CHOLIC ACID	A,B	2QD3	0.74
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.74
CHD	CHOLIC ACID	A	2RLC	0.74
CHD	CHOLIC ACID	A,B	1ON5	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.74
CHD	CHOLIC ACID	A,B	2QD4	0.74
CHD	CHOLIC ACID	A	2QO5	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.74
CHD	CHOLIC ACID	A,B	2QD2	0.74
CHD	CHOLIC ACID	A,B,C	3ELZ	0.74
CHD	CHOLIC ACID	A,B	2PO5	0.74
CHD	CHOLIC ACID	A,B	1S9Q	0.74
CHD	CHOLIC ACID	A,B	1EE2	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.74
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.74
CHD	CHOLIC ACID	A,B	2QD5	0.74
CHD	CHOLIC ACID	A,B	3EM0	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.74
CHD	CHOLIC ACID	A	2QO4	0.74
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.74
HC2	20-HYDROXYCHOLESTEROL	A	1ZHW	0.71
AE2	AETIOCHOLANOLONE	A	2QP4	0.71
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.71
AE2	AETIOCHOLANOLONE	A	2QP3	0.71
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.71
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.71
AE2	AETIOCHOLANOLONE	H	1DBJ	0.71
AE2	AETIOCHOLANOLONE	A	1OV4	0.71
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.74
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.74
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
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.71
HC3	25-HYDROXYCHOLESTEROL	A	1ZHX	0.71
2OB	CHOLESTERYL OLEATE	A	2OBD	0.76
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.74
803	LOVASTATIN	A,B	1CQP	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
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.74
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.71
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	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.76
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.76
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.74
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.74
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.78
LVA	(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID	A,B	1T02	0.72
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.8
114	COMPACTIN	A,B,C,D	1HW8	0.72
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.77
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.77
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.77
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.7
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.7
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.7
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.7
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.79
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.79
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	0.71
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
C0R	CORTICOSTERONE	A	2A3I	0.74
C0R	CORTICOSTERONE	A,B	1Y5R	0.74
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.71
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
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.82
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.82
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
LAN	LANOSTEROL	A	1W6K	0.73
AS4	ALDOSTERONE	A	2AA2	0.71
AS4	ALDOSTERONE	A	2Q1H	0.71
0AS	asiatic acid	A	2QN1	0.88
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.78
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.89
0MA	maslinic acid	A	2QN2	0.9
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.72
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.72
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.75
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	0.76