MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091775

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
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OT7	0.77
CHC	6-ETHYL-CHENODEOXYCHOLIC ACID	A,B	1OSV	0.77
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
DHT	5-ALPHA-DIHYDROTESTOSTERONE	L	2PIP	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7M	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I38	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T74	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7R	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PKL	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T63	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDK	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1DHT	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIR	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T76	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2Z4J	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T79	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIO	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIV	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2QPY	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2AMA	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T65	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIX	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1KDM	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7T	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T5Z	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIQ	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIT	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIU	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	2PIW	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1I37	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1XJ7	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1D2S	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1F5F	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T73	0.7
DHT	5-ALPHA-DIHYDROTESTOSTERONE	A	1T7F	0.7
FUA	FUSIDIC ACID	A	1QCA	0.72
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.72
FUA	FUSIDIC ACID	A,B	2VUF	0.72
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.71
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.76
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
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.71
FOK	FORSKOLIN	A,C	3C16	0.74
FOK	FORSKOLIN	A,C	1CJU	0.74
FOK	FORSKOLIN	A,C	1TL7	0.74
FOK	FORSKOLIN	A,B	1AB8	0.74
FOK	FORSKOLIN	A,C	3C14	0.74
FOK	FORSKOLIN	A,C	1CJT	0.74
FOK	FORSKOLIN	A,B,C	1CUL	0.74
FOK	FORSKOLIN	A,C	1CJV	0.74
FOK	FORSKOLIN	A,C	3C15	0.74
FOK	FORSKOLIN	A,C	1U0H	0.74
FOK	FORSKOLIN	A,B,C	1CS4	0.74
FOK	FORSKOLIN	A,C	1CJK	0.74
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	0.75
CHD	CHOLIC ACID	A,B	2PNJ	0.77
CHD	CHOLIC ACID	A,B	1HRK	0.77
CHD	CHOLIC ACID	A,B	2PO7	0.77
CHD	CHOLIC ACID	A	2QO6	0.77
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,M,N,O,P, Q,S,T,V,W,Z	1V55	0.77
CHD	CHOLIC ACID	A	2AZY	0.77
CHD	CHOLIC ACID	A,B,C	2DQY	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Y,Z	2EIN	0.77
CHD	CHOLIC ACID	A,B,C,F,G,I, J,L,M,N,O,P, S,T,V,W,Z	2EIJ	0.77
CHD	CHOLIC ACID	A,B,C,D	2QD1	0.77
CHD	CHOLIC ACID	A	2FT9	0.77
CHD	CHOLIC ACID	A,B	2HRC	0.77
CHD	CHOLIC ACID	A,B	1TW4	0.77
CHD	CHOLIC ACID	A,B	2QD3	0.77
CHD	CHOLIC ACID	A,B,C,D,E,F, G,I,J,L,M,N, O,P,Q,S,T,V, W,Z	1V54	0.77
CHD	CHOLIC ACID	A	2RLC	0.77
CHD	CHOLIC ACID	A,B	1ON5	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, J,L,M,N,O,P, S,T,W,Z	2ZXW	0.77
CHD	CHOLIC ACID	A,B	2QD4	0.77
CHD	CHOLIC ACID	A	2QO5	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2DYS	0.77
CHD	CHOLIC ACID	A,B	2QD2	0.77
CHD	CHOLIC ACID	A,B,C	3ELZ	0.77
CHD	CHOLIC ACID	A,B	2PO5	0.77
CHD	CHOLIC ACID	A,B	1S9Q	0.77
CHD	CHOLIC ACID	A,B	1EE2	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2DYR	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,S,T,V,W,Z	2EIM	0.77
CHD	CHOLIC ACID	A,B,C,D	2HRE	0.77
CHD	CHOLIC ACID	A,B	2QD5	0.77
CHD	CHOLIC ACID	A,B	3EM0	0.77
CHD	CHOLIC ACID	A,B,C,D,F,G, I,J,L,M,N,O, P,Q,S,T,V,W,Z	2EIL	0.77
CHD	CHOLIC ACID	A	2QO4	0.77
CHD	CHOLIC ACID	A,B,C,E,F,G, I,J,L,M,N,O, P,Q,S,T,V,W, Y,Z	2EIK	0.77
0AS	asiatic acid	A	2QN1	0.78
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1IHI	0.77
IU5	ISO-URSODEOXYCHOLIC ACID	A,B	1OT7	0.77
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.76
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.76
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.76
CXT	CARBOXYATRACTYLOSIDE	A	2C3E	0.75
CXT	CARBOXYATRACTYLOSIDE	A	1OKC	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.71
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.71
AS4	ALDOSTERONE	A	2AA2	0.72
AS4	ALDOSTERONE	A	2Q1H	0.72
JN3	CHENODEOXYCHOLIC ACID	A	2JN3	0.77
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.71
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.71
S5H	5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATE	L	2DBL	0.73
GA4	GIBBERELLIN A4	A	2ZSI	0.78
GA4	GIBBERELLIN A4	A,B,C,D,E,F	3EBL	0.78
GA4	GIBBERELLIN A4	H,I	1KFA	0.78
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
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
AE2	AETIOCHOLANOLONE	A	2QP4	0.7
AE2	AETIOCHOLANOLONE	A,B	1YB1	0.7
AE2	AETIOCHOLANOLONE	A	2QP3	0.7
AE2	AETIOCHOLANOLONE	A,B	1X8J	0.7
AE2	AETIOCHOLANOLONE	A,B,C,D	1NFQ	0.7
AE2	AETIOCHOLANOLONE	H	1DBJ	0.7
AE2	AETIOCHOLANOLONE	A	1OV4	0.7
0MA	maslinic acid	A	2QN2	0.76
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB1	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB3	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2BJF	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	1WB2	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1FM4	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2W1B	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B	1E3V	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	1OS6	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A,B,C,D	3DTU	0.75
DXC	(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN- 24-OIC ACID	A	2OPX	0.75
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
C0R	CORTICOSTERONE	A	2A3I	0.73
C0R	CORTICOSTERONE	A,B	1Y5R	0.73
BDT	5-beta-DIHYDROTESTOSTERONE	A,B	3DOP	0.7
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.71
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.71
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.73
DEX	DEXAMETHASONE	A,D	1M2Z	0.7
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.7
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.76