MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00825438

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
CAX	(2S,4S)-4-(2,2-DIHYDROXYETHYL)- 2,3,3-TRIMETHYLCYCLOPENTANONE	A,B,C,D,E,F, G,H,I,J,K,L	1SZO	0.7
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.94
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.86
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.86
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.83
AE2	AETIOCHOLANOLONE	A	2QP4	0.94
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.94
AE2	AETIOCHOLANOLONE	A	2QP3	0.94
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.94
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.94
AE2	AETIOCHOLANOLONE	H	1DBJ	0.94
AE2	AETIOCHOLANOLONE	A	1OV4	0.94
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H,L	2O5Z	0.74
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H	1DBK	0.74
TES	TESTOSTERONE	A	1JTV	0.74
TES	TESTOSTERONE	A	2Q7L	0.74
TES	TESTOSTERONE	A	2Q7I	0.74
TES	TESTOSTERONE	A,B	1J96	0.74
TES	TESTOSTERONE	A	2Q7K	0.74
TES	TESTOSTERONE	A,B	1Q13	0.74
TES	TESTOSTERONE	H	1I9J	0.74
TES	TESTOSTERONE	A,B	1AFS	0.74
TES	TESTOSTERONE	H	1VPO	0.74
TES	TESTOSTERONE	A	2Q7J	0.74
TES	TESTOSTERONE	A,B	3BUR	0.74
TES	TESTOSTERONE	A	2AM9	0.74
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.86
CHD	CHOLIC ACID	A,B	2PNJ	0.86
CHD	CHOLIC ACID	A,B	1HRK	0.86
CHD	CHOLIC ACID	A,B	2PO7	0.86
CHD	CHOLIC ACID	A	2QO6	0.86
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.86
CHD	CHOLIC ACID	A	2AZY	0.86
CHD	CHOLIC ACID	A,B,C	2DQY	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.86
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.86
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.86
CHD	CHOLIC ACID	A	2FT9	0.86
CHD	CHOLIC ACID	A,B	2HRC	0.86
CHD	CHOLIC ACID	A,B	1TW4	0.86
CHD	CHOLIC ACID	A,B	2QD3	0.86
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.86
CHD	CHOLIC ACID	A	2RLC	0.86
CHD	CHOLIC ACID	A,B	1ON5	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.86
CHD	CHOLIC ACID	A,B	2QD4	0.86
CHD	CHOLIC ACID	A	2QO5	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.86
CHD	CHOLIC ACID	A,B	2QD2	0.86
CHD	CHOLIC ACID	A,B,C	3ELZ	0.86
CHD	CHOLIC ACID	A,B	2PO5	0.86
CHD	CHOLIC ACID	A,B	1S9Q	0.86
CHD	CHOLIC ACID	A,B	1EE2	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.86
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.86
CHD	CHOLIC ACID	A,B	2QD5	0.86
CHD	CHOLIC ACID	A,B	3EM0	0.86
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.86
CHD	CHOLIC ACID	A	2QO4	0.86
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.86
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,C,D	1XV9	0.76
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,B	3CAV	0.76
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.86
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.86
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.75
C0R	CORTICOSTERONE	A	2A3I	0.74
C0R	CORTICOSTERONE	A,B	1Y5R	0.74
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.89
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.89
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
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.74
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.74
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.74
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.74
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.74
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.72
ESR	ESTRADIOL	A,B,C,D	1OHP	0.74
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.94
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.94
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.74
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.74
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.83
AS4	ALDOSTERONE	A	2AA2	0.71
AS4	ALDOSTERONE	A	2Q1H	0.71
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.83
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A	1QYW	0.74
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A,B,C	1OHS	0.74
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.74
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.74
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.74
DEX	DEXAMETHASONE	A,D	1M2Z	0.7
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.7
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.75