MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00469295

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
0MA	maslinic acid	A	2QN2	0.7
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.99
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.99
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H,L	2O5Z	0.73
ANO	5-BETA-ANDROSTANE-3,17-DIONE	H	1DBK	0.73
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.96
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.96
CHD	CHOLIC ACID	A,B	2PNJ	0.96
CHD	CHOLIC ACID	A,B	1HRK	0.96
CHD	CHOLIC ACID	A,B	2PO7	0.96
CHD	CHOLIC ACID	A	2QO6	0.96
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.96
CHD	CHOLIC ACID	A	2AZY	0.96
CHD	CHOLIC ACID	A,B,C	2DQY	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.96
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.96
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.96
CHD	CHOLIC ACID	A	2FT9	0.96
CHD	CHOLIC ACID	A,B	2HRC	0.96
CHD	CHOLIC ACID	A,B	1TW4	0.96
CHD	CHOLIC ACID	A,B	2QD3	0.96
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.96
CHD	CHOLIC ACID	A	2RLC	0.96
CHD	CHOLIC ACID	A,B	1ON5	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.96
CHD	CHOLIC ACID	A,B	2QD4	0.96
CHD	CHOLIC ACID	A	2QO5	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.96
CHD	CHOLIC ACID	A,B	2QD2	0.96
CHD	CHOLIC ACID	A,B,C	3ELZ	0.96
CHD	CHOLIC ACID	A,B	2PO5	0.96
CHD	CHOLIC ACID	A,B	1S9Q	0.96
CHD	CHOLIC ACID	A,B	1EE2	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.96
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.96
CHD	CHOLIC ACID	A,B	2QD5	0.96
CHD	CHOLIC ACID	A,B	3EM0	0.96
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.96
CHD	CHOLIC ACID	A	2QO4	0.96
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.96
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
FUA	FUSIDIC ACID	A	1QCA	0.7
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.7
FUA	FUSIDIC ACID	A,B	2VUF	0.7
AON	5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA- DIOL	A	1LHN	0.82
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
CHO	GLYCOCHENODEOXYCHOLIC ACID	A,B	1FMC	0.71
CHO	GLYCOCHENODEOXYCHOLIC ACID	A,B	1AHI	0.71
CHO	GLYCOCHENODEOXYCHOLIC ACID	A	2B04	0.71
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.96
F24	(3R,5S,7R,12S,13R)-13-FORMYL-12,14- DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID	A	2F9A	0.71
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.92
0AS	asiatic acid	A	2QN1	0.7
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.96
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.96
GCH	GLYCOCHOLIC ACID	A	2B00	0.71
GCH	GLYCOCHOLIC ACID	A	1EIO	0.71
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.93
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.93
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.72
C0R	CORTICOSTERONE	A	2A3I	0.71
C0R	CORTICOSTERONE	A,B	1Y5R	0.71
TES	TESTOSTERONE	A	1JTV	0.73
TES	TESTOSTERONE	A	2Q7L	0.73
TES	TESTOSTERONE	A	2Q7I	0.73
TES	TESTOSTERONE	A,B	1J96	0.73
TES	TESTOSTERONE	A	2Q7K	0.73
TES	TESTOSTERONE	A,B	1Q13	0.73
TES	TESTOSTERONE	H	1I9J	0.73
TES	TESTOSTERONE	A,B	1AFS	0.73
TES	TESTOSTERONE	H	1VPO	0.73
TES	TESTOSTERONE	A	2Q7J	0.73
TES	TESTOSTERONE	A,B	3BUR	0.73
TES	TESTOSTERONE	A	2AM9	0.73
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.73
CAX	(2S,4S)-4-(2,2-DIHYDROXYETHYL)- 2,3,3-TRIMETHYLCYCLOPENTANONE	A,B,C,D,E,F, G,H,I,J,K,L	1SZO	0.71
ESR	ESTRADIOL	A,B,C,D	1OHP	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.73
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.71
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.71
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.71
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.72
CAH	5-EXO-HYDROXYCAMPHOR	A	1NOO	0.74
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,C,D	1XV9	0.75
CI2	(5BETA)-PREGNANE-3,20-DIONE	A,B	3CAV	0.75
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.93
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.74
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A	1QYW	0.73
5SD	5ALPHA-ANDROSTAN-3,17-DIONE	A,B,C	1OHS	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.73
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.73
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.73
AE2	AETIOCHOLANOLONE	A	2QP4	0.93
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.93
AE2	AETIOCHOLANOLONE	A	2QP3	0.93
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.93
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.93
AE2	AETIOCHOLANOLONE	H	1DBJ	0.93
AE2	AETIOCHOLANOLONE	A	1OV4	0.93
AOM	5-ALPHA-ANDROSTANE-3-BETA,17BETA- DIOL	A	1LHO	0.82