MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02442403

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
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.76
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.76
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.76
FUA	FUSIDIC ACID	A	1QCA	0.78
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.78
FUA	FUSIDIC ACID	A,B	2VUF	0.78
0MA	maslinic acid	A	2QN2	0.77
2OB	CHOLESTERYL OLEATE	A	2OBD	0.81
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.82
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.82
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.73
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.73
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.73
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.75
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.75
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.81
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.76
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.76
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.8
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.77
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.8
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	0.76
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.8
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.77
C0R	CORTICOSTERONE	A	2A3I	0.74
C0R	CORTICOSTERONE	A,B	1Y5R	0.74
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.7
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.8
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.8
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.82
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.82
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.82
TES	TESTOSTERONE	A	1JTV	0.76
TES	TESTOSTERONE	A	2Q7L	0.76
TES	TESTOSTERONE	A	2Q7I	0.76
TES	TESTOSTERONE	A,B	1J96	0.76
TES	TESTOSTERONE	A	2Q7K	0.76
TES	TESTOSTERONE	A,B	1Q13	0.76
TES	TESTOSTERONE	H	1I9J	0.76
TES	TESTOSTERONE	A,B	1AFS	0.76
TES	TESTOSTERONE	H	1VPO	0.76
TES	TESTOSTERONE	A	2Q7J	0.76
TES	TESTOSTERONE	A,B	3BUR	0.76
TES	TESTOSTERONE	A	2AM9	0.76
CHD	CHOLIC ACID	A,B	2PNJ	0.8
CHD	CHOLIC ACID	A,B	1HRK	0.8
CHD	CHOLIC ACID	A,B	2PO7	0.8
CHD	CHOLIC ACID	A	2QO6	0.8
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.8
CHD	CHOLIC ACID	A	2AZY	0.8
CHD	CHOLIC ACID	A,B,C	2DQY	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.8
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.8
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.8
CHD	CHOLIC ACID	A	2FT9	0.8
CHD	CHOLIC ACID	A,B	2HRC	0.8
CHD	CHOLIC ACID	A,B	1TW4	0.8
CHD	CHOLIC ACID	A,B	2QD3	0.8
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.8
CHD	CHOLIC ACID	A	2RLC	0.8
CHD	CHOLIC ACID	A,B	1ON5	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.8
CHD	CHOLIC ACID	A,B	2QD4	0.8
CHD	CHOLIC ACID	A	2QO5	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.8
CHD	CHOLIC ACID	A,B	2QD2	0.8
CHD	CHOLIC ACID	A,B,C	3ELZ	0.8
CHD	CHOLIC ACID	A,B	2PO5	0.8
CHD	CHOLIC ACID	A,B	1S9Q	0.8
CHD	CHOLIC ACID	A,B	1EE2	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.8
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.8
CHD	CHOLIC ACID	A,B	2QD5	0.8
CHD	CHOLIC ACID	A,B	3EM0	0.8
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.8
CHD	CHOLIC ACID	A	2QO4	0.8
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.8
AE2	AETIOCHOLANOLONE	A	2QP4	0.75
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.75
AE2	AETIOCHOLANOLONE	A	2QP3	0.75
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.75
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.75
AE2	AETIOCHOLANOLONE	H	1DBJ	0.75
AE2	AETIOCHOLANOLONE	A	1OV4	0.75
AS4	ALDOSTERONE	A	2AA2	0.71
AS4	ALDOSTERONE	A	2Q1H	0.71
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.78
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.82
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.81
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.81
0AS	asiatic acid	A	2QN1	0.79
DOG	DIGOXIGENIN	A	1LKE	0.73
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
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	0.81
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.75
DTX	DIGITOXIGENIN	A	1LNM	0.74
GA4	GIBBERELLIN A4	A	2ZSI	0.71
GA4	GIBBERELLIN A4	A,B,C,D,E,F	3EBL	0.71
GA4	GIBBERELLIN A4	H,I	1KFA	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.8
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.8