MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02425105

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
0AS	asiatic acid	A	2QN1	0.73
TES	TESTOSTERONE	A	1JTV	0.77
TES	TESTOSTERONE	A	2Q7L	0.77
TES	TESTOSTERONE	A	2Q7I	0.77
TES	TESTOSTERONE	A,B	1J96	0.77
TES	TESTOSTERONE	A	2Q7K	0.77
TES	TESTOSTERONE	A,B	1Q13	0.77
TES	TESTOSTERONE	H	1I9J	0.77
TES	TESTOSTERONE	A,B	1AFS	0.77
TES	TESTOSTERONE	H	1VPO	0.77
TES	TESTOSTERONE	A	2Q7J	0.77
TES	TESTOSTERONE	A,B	3BUR	0.77
TES	TESTOSTERONE	A	2AM9	0.77
LVA	(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6- DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}- 1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL)-3,5-DIHYDROXYHEPTANOIC ACID	A,B	1T02	0.74
114	COMPACTIN	A,B,C,D	1HW8	0.74
HCR	7-HYDROXYCHOLESTEROL	A	1ZHT	0.71
MVB	(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO- 7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO- 4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]- 1-NAPHTHALENOL	A,B,C	1YA8	0.75
2OB	CHOLESTERYL OLEATE	A	2OBD	0.76
AS4	ALDOSTERONE	A	2AA2	0.74
AS4	ALDOSTERONE	A	2Q1H	0.74
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.76
GA3	GIBBERELLIN A3	A	2ZSH	0.73
GA3	GIBBERELLIN A3	A,B,C,D,E,F	3ED1	0.73
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.81
DOG	DIGOXIGENIN	A	1LKE	0.76
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
CLL	CHOLESTERYL LINOLEATE	A,B	1CLE	0.76
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.75
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.75
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.75
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.75
WIN	methyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)- 15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}- 3,11,12-trihydroxy-2,16-dioxo-13,20- epoxypicras-3-en-21-oate	0,1,2,3,9,A, B,C,F,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	3G71	0.75
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.7
164	2-(3-CARBOXYPROPIONYL)-6-HYDROXY- CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID	A	1R6W	0.74
0MA	maslinic acid	A	2QN2	0.74
GR4		H,I	1AWF	0.74
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.73
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A,B	1E3R	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	3DHE	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1J99	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1COY	0.75
AND	3-BETA-HYDROXY-5-ANDROSTEN-17-ONE	A	1Q22	0.75
5OP	(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID	A	2ZB4	0.7
5OP	(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA- 5,13-DIEN-1-OIC ACID	A,B	1V3V	0.7
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A,B	2VDY	0.75
HCY	(11alpha,14beta)-11,17,21-trihydroxypregn- 4-ene-3,20-dione	A	2V95	0.75
C0R	CORTICOSTERONE	A	2A3I	0.75
C0R	CORTICOSTERONE	A,B	1Y5R	0.75
8PG	(8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID	A,B	2G5W	0.7
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.82
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.82
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.82
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.7
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.7
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.7
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.7
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.7
PID	PERIDININ	A	2C9E	0.72
PID	PERIDININ	M,N,O	1PPR	0.72
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPG	0.77
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPJ	0.77
FFA	(10ALPHA,13ALPHA,14BETA,17ALPHA)- 17-HYDROXYANDROST-4-EN-3-ONE	A,B	2IPF	0.77
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.77
DEX	DEXAMETHASONE	A,D	1M2Z	0.75
DEX	DEXAMETHASONE	A,B,C,D	1P93	0.75
FUA	FUSIDIC ACID	A	1QCA	0.81
FUA	FUSIDIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1Q23	0.81
FUA	FUSIDIC ACID	A,B	2VUF	0.81
DTX	DIGITOXIGENIN	A	1LNM	0.75
CBO	CARBENOXOLONE	A,B,C,D	1HDC	0.76
CBO	CARBENOXOLONE	A,B,C,D	2BEL	0.76
ZK5	9ALPHA-FLUOROCORTISOL	A	1GS4	0.73
803	LOVASTATIN	A,B	1CQP	0.76
SIM	SIMVASTATIN	A,B,C,D	1HW9	0.76
SRN	SORANGICIN A	C,D	1YNJ	0.73
RGC	REIDISPONGIOLIDE C	A	2ASP	0.76
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.76
PG2	PROSTAGLANDIN D2	A,B	1RY0	0.7
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	0.81
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EAU	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB3	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	3EB4	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	2AAX	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	1H61	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A,B	3CMF	0.78
PDN	17,21-DIHYDROXYPREGNA-1,4-DIENE- 3,11,20-TRIONE	A	2Q1V	0.78
ERG	ERGOSTEROL	A	1BXM	0.7
ERG	ERGOSTEROL	A	1ZHZ	0.7
ERG	ERGOSTEROL	A,B	2AIB	0.7
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.76
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	0.82