MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02453326

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
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.73
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.73
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.73
TES	TESTOSTERONE	A	1JTV	0.72
TES	TESTOSTERONE	A	2Q7L	0.72
TES	TESTOSTERONE	A	2Q7I	0.72
TES	TESTOSTERONE	A,B	1J96	0.72
TES	TESTOSTERONE	A	2Q7K	0.72
TES	TESTOSTERONE	A,B	1Q13	0.72
TES	TESTOSTERONE	H	1I9J	0.72
TES	TESTOSTERONE	A,B	1AFS	0.72
TES	TESTOSTERONE	H	1VPO	0.72
TES	TESTOSTERONE	A	2Q7J	0.72
TES	TESTOSTERONE	A,B	3BUR	0.72
TES	TESTOSTERONE	A	2AM9	0.72
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.97
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.97
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.83
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.91
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.91
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	0.72
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.97
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.97
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.97
CHD	CHOLIC ACID	A,B	2PNJ	0.97
CHD	CHOLIC ACID	A,B	1HRK	0.97
CHD	CHOLIC ACID	A,B	2PO7	0.97
CHD	CHOLIC ACID	A	2QO6	0.97
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.97
CHD	CHOLIC ACID	A	2AZY	0.97
CHD	CHOLIC ACID	A,B,C	2DQY	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.97
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.97
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.97
CHD	CHOLIC ACID	A	2FT9	0.97
CHD	CHOLIC ACID	A,B	2HRC	0.97
CHD	CHOLIC ACID	A,B	1TW4	0.97
CHD	CHOLIC ACID	A,B	2QD3	0.97
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.97
CHD	CHOLIC ACID	A	2RLC	0.97
CHD	CHOLIC ACID	A,B	1ON5	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.97
CHD	CHOLIC ACID	A,B	2QD4	0.97
CHD	CHOLIC ACID	A	2QO5	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.97
CHD	CHOLIC ACID	A,B	2QD2	0.97
CHD	CHOLIC ACID	A,B,C	3ELZ	0.97
CHD	CHOLIC ACID	A,B	2PO5	0.97
CHD	CHOLIC ACID	A,B	1S9Q	0.97
CHD	CHOLIC ACID	A,B	1EE2	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.97
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.97
CHD	CHOLIC ACID	A,B	2QD5	0.97
CHD	CHOLIC ACID	A,B	3EM0	0.97
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.97
CHD	CHOLIC ACID	A	2QO4	0.97
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.97
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H,L	2O5Z	0.72
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H	1DBK	0.72
0MA	maslinic acid	A	2QN2	0.71
CHO	GLYCOCHENODEOXYCHOLIC ACID	A,B	1FMC	0.72
CHO	GLYCOCHENODEOXYCHOLIC ACID	A,B	1AHI	0.72
CHO	GLYCOCHENODEOXYCHOLIC ACID	A	2B04	0.72
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.91
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,C,D	1XV9	0.73
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,B	3CAV	0.73
FUA	FUSIDIC ACID	A	1QCA	0.71
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.71
FUA	FUSIDIC ACID	A,B	2VUF	0.71
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A	1QYW	0.72
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A,B,C	1OHS	0.72
AE2	AETIOCHOLANOLONE	A	2QP4	0.91
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.91
AE2	AETIOCHOLANOLONE	A	2QP3	0.91
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.91
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.91
AE2	AETIOCHOLANOLONE	H	1DBJ	0.91
AE2	AETIOCHOLANOLONE	A	1OV4	0.91
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.72
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.72
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.72
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.72
0AS	asiatic acid	A	2QN1	0.71
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.72
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.72
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.83
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.73
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	1
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	1
C0R	CORTICOSTERONE	A	2A3I	0.7
C0R	CORTICOSTERONE	A,B	1Y5R	0.7
ESR	ESTRADIOL	A,B,C,D	1OHP	0.72
GCH	GLYCOCHOLIC ACID	A	2B00	0.72
GCH	GLYCOCHOLIC ACID	A	1EIO	0.72
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.72
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.72
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.9
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.72