MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02507426

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
CHD	CHOLIC ACID	A,B	2PNJ	0.74
CHD	CHOLIC ACID	A,B	1HRK	0.74
CHD	CHOLIC ACID	A,B	2PO7	0.74
CHD	CHOLIC ACID	A	2QO6	0.74
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.74
CHD	CHOLIC ACID	A	2AZY	0.74
CHD	CHOLIC ACID	A,B,C	2DQY	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.74
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.74
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.74
CHD	CHOLIC ACID	A	2FT9	0.74
CHD	CHOLIC ACID	A,B	2HRC	0.74
CHD	CHOLIC ACID	A,B	1TW4	0.74
CHD	CHOLIC ACID	A,B	2QD3	0.74
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.74
CHD	CHOLIC ACID	A	2RLC	0.74
CHD	CHOLIC ACID	A,B	1ON5	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.74
CHD	CHOLIC ACID	A,B	2QD4	0.74
CHD	CHOLIC ACID	A	2QO5	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.74
CHD	CHOLIC ACID	A,B	2QD2	0.74
CHD	CHOLIC ACID	A,B,C	3ELZ	0.74
CHD	CHOLIC ACID	A,B	2PO5	0.74
CHD	CHOLIC ACID	A,B	1S9Q	0.74
CHD	CHOLIC ACID	A,B	1EE2	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.74
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.74
CHD	CHOLIC ACID	A,B	2QD5	0.74
CHD	CHOLIC ACID	A,B	3EM0	0.74
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.74
CHD	CHOLIC ACID	A	2QO4	0.74
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.74
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.74
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.74
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
0AS	asiatic acid	A	2QN1	0.73
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.74
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.81
GA4	GIBBERELLIN A4	A	2ZSI	0.75
GA4	GIBBERELLIN A4	A,B,C,D,E,F	3EBL	0.75
GA4	GIBBERELLIN A4	H,I	1KFA	0.75
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	0.77
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.76
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.72
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.73
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.73
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.76
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.76
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.74
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.74
0MA	maslinic acid	A	2QN2	0.73
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.78
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.78
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.78
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.74
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.74
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.74
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.74
AS4	ALDOSTERONE	A	2AA2	0.77
AS4	ALDOSTERONE	A	2Q1H	0.77
FUA	FUSIDIC ACID	A	1QCA	0.73
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.73
FUA	FUSIDIC ACID	A,B	2VUF	0.73
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.74
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.74
DEX	DEXAMETHASONE	A,D	1M2Z	0.74
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.78
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
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.76
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
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.76
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.76
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	0.79
AE2	AETIOCHOLANOLONE	A	2QP4	0.73
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.73
AE2	AETIOCHOLANOLONE	A	2QP3	0.73
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.73
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.73
AE2	AETIOCHOLANOLONE	H	1DBJ	0.73
AE2	AETIOCHOLANOLONE	A	1OV4	0.73
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.73
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.74
C0R	CORTICOSTERONE	A	2A3I	0.78
C0R	CORTICOSTERONE	A,B	1Y5R	0.78
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.73
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.72
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.72
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.72
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.72