MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02507466

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
OPD	9R,13R-12-OXOPHYTODIENOIC ACID	A,B	1ICQ	0.71
OXR	4-OXORETINOL	A,B	1X8L	0.72
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	0.74
CBW	(3BETA,5BETA,14BETA)-3-HYDROXY- 11-OXOOLEAN-12-EN-29-OIC ACID	A	2W4Q	0.71
TH2	TESTOSTERONE HEMISUCCINATE	A,B	2CBT	0.75
TH2	TESTOSTERONE HEMISUCCINATE	A,B,C,D,E,F	2CBQ	0.75
TH2	TESTOSTERONE HEMISUCCINATE	A	2CBO	0.75
CDZ	3,5-dihydroxy-4,6,6-tris(3-methylbut- 2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa- 2,4-dien-1-one	A	2QNV	0.7
1CA	DESOXYCORTICOSTERONE	A,B	1Y9R	0.72
1CA	DESOXYCORTICOSTERONE	A,B,C	2ABI	0.72
1CA	DESOXYCORTICOSTERONE	A	2Q3Y	0.72
1CA	DESOXYCORTICOSTERONE	A	2AA7	0.72
REA	RETINOIC ACID	A	1CBS	0.71
REA	RETINOIC ACID	A,B	1EPB	0.71
REA	RETINOIC ACID	A,D	1K74	0.71
REA	RETINOIC ACID	A,D	3E00	0.71
REA	RETINOIC ACID	A	3LBD	0.71
REA	RETINOIC ACID	A,B,C,D,E,F, G,H	1XLS	0.71
REA	RETINOIC ACID	A,B,C,D,E,F, G,H	2ACL	0.71
REA	RETINOIC ACID	A,B,C,D	3FAL	0.71
REA	RETINOIC ACID	A,D,U,X	1FM6	0.71
REA	RETINOIC ACID	E,F	1RLB	0.71
REA	RETINOIC ACID	A,D	3DZU	0.71
REA	RETINOIC ACID	A	3CWK	0.71
REA	RETINOIC ACID	A,B	2NNH	0.71
REA	RETINOIC ACID	A,B	2VE3	0.71
REA	RETINOIC ACID	A	1N4H	0.71
REA	RETINOIC ACID	A	2FR3	0.71
REA	RETINOIC ACID	B,C	1G5Y	0.71
REA	RETINOIC ACID	A	2LBD	0.71
REA	RETINOIC ACID	A,B,E,F	1XDK	0.71
REA	RETINOIC ACID	A,D	1FM9	0.71
REA	RETINOIC ACID	A	1FEM	0.71
REA	RETINOIC ACID	A,D	3DZY	0.71
REA	RETINOIC ACID	A,B	1TYR	0.71
REA	RETINOIC ACID	A	2G78	0.71
REA	RETINOIC ACID	A	1GX9	0.71
REA	RETINOIC ACID	A,B,C,D	3FC6	0.71
REA	RETINOIC ACID	A,B	1CBR	0.71
REA	RETINOIC ACID	A,B	1FBY	0.71
REA	RETINOIC ACID	A,B	1XIU	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1E3G	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A,B	1E3K	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	2AO6	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XOW	0.71
R18	(17BETA)-17-HYDROXY-17-METHYLESTRA- 4,9,11-TRIEN-3-ONE	A	1XQ3	0.71
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A	1LHV	0.72
NOG	13-BETA-ETHYL-17-ALPHA-ETHYNYL- 17-BETA-HYDROXYGON-4-EN-3-ONE	A,B	3D90	0.72
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	1SQN	0.72
NDR	(14beta,17alpha)-17-ethynyl-17- hydroxyestr-4-en-3-one	A,B	2W8Y	0.72
ASD	4-ANDROSTENE-3-17-DIONE	A,B	3CAS	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A	1QYX	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D	2VCT	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A	1EUP	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2VCV	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A	3EQM	0.76
ASD	4-ANDROSTENE-3-17-DIONE	A	1XF0	0.76
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
RE9	6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4- TRIMETHYL-1-METYLENEINDEN-2-YL)- 3-METHYLHEXA-2,4-DIENOIC ACID	A	1CBQ	0.73
C0R	CORTICOSTERONE	A	2A3I	0.71
C0R	CORTICOSTERONE	A,B	1Y5R	0.71
ANB	ANDROSTA-1,4-DIENE-3,17-DIONE	A	1H62	0.79
DL7	(5beta,14beta,17alpha,25R)-3-oxocholest- 7-en-26-oic acid	A	3GYU	0.79
20E	(2beta,3beta,5beta,22R)-2,3,14,20,22,25- hexahydroxycholest-7-en-6-one	A,D	2R40	0.7
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
STR	PROGESTERONE	A	1H60	0.76
STR	PROGESTERONE	A,B,C	1YA3	0.76
STR	PROGESTERONE	A,B	2AA6	0.76
STR	PROGESTERONE	A	1MRQ	0.76
STR	PROGESTERONE	A,B	1A28	0.76
STR	PROGESTERONE	A,B	2AA5	0.76
STR	PROGESTERONE	A	2HZQ	0.76
STR	PROGESTERONE	A	1W0F	0.76
STR	PROGESTERONE	A	2ABA	0.76
STR	PROGESTERONE	A,B	3COT	0.76
STR	PROGESTERONE	H	1DBB	0.76
STR	PROGESTERONE	H,L	2O5Y	0.76
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
DL4	(14beta,17alpha,25R)-3-oxocholest- 4-en-26-oic acid	A	3GYT	0.82
PLO	(3BETA)-3-HYDROXYPREGN-5-EN-20- ONE	A	1Q20	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	A,D	1R1K	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,U	1Z5X	0.7
P1A	2,3,14,20,22-PENTAHYDROXYCHOLEST- 7-EN-6-ONE	E,F,G,H	2NXX	0.7
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
SIH	PROGESTERONE-11-ALPHA-OL-HEMISUCCINATE	H	1DBM	0.74
17H	17-HYDROXY-18A-HOMO-19-NOR-17ALPHA- PREGNA-4,9,11-TRIEN-3-ONE	A	2AMB	0.71
8PG	(8S,12S)-15S-HYDROXY-9-OXOPROSTA- 10Z,13E-DIEN-1-OIC ACID	A,B	2G5W	0.73