MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02458360

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
PL0	1-phenylguanidine	A	2O8W	0.83
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.77
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.7
L10	N-[(3Z)-5-TERT-BUTYL-2-PHENYL-1,2- DIHYDRO-3H-PYRAZOL-3-YLIDENE]-N'- (4-CHLOROPHENYL)UREA	A	1W82	0.7
264	(phenylamino)acetonitrile	A	2RBN	0.82
NYL	N-ALLYL-ANILINE	A	1OVK	0.83
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.72
IDM	INDOLINE	A,B	3CEP	0.71
IDM	INDOLINE	A	1AEK	0.71
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.7
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.7
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.7
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.7
PH3	N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE	A,B	1DM6	0.72
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.73
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.75
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.75
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.72
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.72
PTU	2-ETHYL-1-PHENYL-ISOTHIOUREA	A,B	1K2T	0.74
PTU	2-ETHYL-1-PHENYL-ISOTHIOUREA	A,B	1D1V	0.74
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.71
ZMG	(5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one	A,B,C,D	2RBE	0.7
BSU	1,3-DIPHENYLUREA	A	3E85	0.75
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.75
ANL	ANILINE	A	2OV4	0.71
ANL	ANILINE	A	1AEE	0.71
ANL	ANILINE	A	1PPA	0.71
ANL	ANILINE	A	1HJ9	0.71
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.7
427	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE	A	1ZMN	0.71
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.72
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.81
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.7
1MR	N-METHYLANILINE	X	2OTZ	0.81
MGR	MALACHITE GREEN	A,B	3BQZ	0.7
MGR	MALACHITE GREEN	A	1Q8N	0.7
MGR	MALACHITE GREEN	A,B	3BR0	0.7
MGR	MALACHITE GREEN	A,D,E	3BTL	0.7
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.7
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.71
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.73