MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03203185

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
A8B		A	1ODC	0.74
1AN	2-FLUOROANILINE	A	1LGW	0.72
264	(phenylamino)acetonitrile	A	2RBN	0.9
LJG	N,N'-(iminodiethane-2,1-diyl)bis[4- amino-N-(2-methylpropyl)benzenesulfonamide]	B	3BGB	0.71
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.78
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.76
1MR	N-METHYLANILINE	X	2OTZ	0.89
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.73
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.73
FOE	2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE	B	1BX9	0.7
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.71
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.78
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.76
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.74
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.72
BSU	1,3-DIPHENYLUREA	A	3E85	0.76
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.76
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.71
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.71
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.7
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.7
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.75
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.7
ANL	ANILINE	A	2OV4	0.75
ANL	ANILINE	A	1AEE	0.75
ANL	ANILINE	A	1PPA	0.75
ANL	ANILINE	A	1HJ9	0.75
MGR	MALACHITE GREEN	A,B	3BQZ	0.71
MGR	MALACHITE GREEN	A	1Q8N	0.71
MGR	MALACHITE GREEN	A,B	3BR0	0.71
MGR	MALACHITE GREEN	A,D,E	3BTL	0.71
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.71
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.71
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.73
ZLD	N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide	0,1,2,4,9,A, B,C,F,H,I,J, K,L,M,N,P,Q, R,S,T,X,Y,Z	3CPW	0.71
ZLD	N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide	4,M,X,Y,Z	3DLL	0.71
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.72
CF3	9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE	A,B,C,D	2GH6	0.7
PRY	2-PROPYL-ANILINE	A	1OWY	0.71
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.82
NPP	N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE	L	1BAF	0.72
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.79
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.79
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.71
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.8
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.8
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.75
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.76
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.76
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.73
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.71
TYX	S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE	A	2PQT	0.7
PL0	1-phenylguanidine	A	2O8W	0.77
PNQ	P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE	A	1D0Z	0.7
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.78
NYL	N-ALLYL-ANILINE	A	1OVK	0.91
IDM	INDOLINE	A,B	3CEP	0.77
IDM	INDOLINE	A	1AEK	0.77