MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091773

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
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.76
0AS	asiatic acid	A	2QN1	0.75
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
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.73
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
2OB	CHOLESTERYL OLEATE	A	2OBD	0.71
0MA	maslinic acid	A	2QN2	0.75
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
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.71
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.71
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
FUA	FUSIDIC ACID	A	1QCA	0.74
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.74
FUA	FUSIDIC ACID	A,B	2VUF	0.74
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
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.72
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.72
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.72
C0R	CORTICOSTERONE	A	2A3I	0.76
C0R	CORTICOSTERONE	A,B	1Y5R	0.76
AS4	ALDOSTERONE	A	2AA2	0.72
AS4	ALDOSTERONE	A	2Q1H	0.72
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.73
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	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	0.71
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.73
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.71
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.72
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.8
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.8
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
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.78
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.78
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.74
GA4	GIBBERELLIN A4	A	2ZSI	0.76
GA4	GIBBERELLIN A4	A,B,C,D,E,F	3EBL	0.76
GA4	GIBBERELLIN A4	H,I	1KFA	0.76
DEX	DEXAMETHASONE	A,D	1M2Z	0.7
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.7
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.75
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.75
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.71
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.8
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.8