MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03239030

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
PRY	2-PROPYL-ANILINE	A	1OWY	0.7
NYL	N-ALLYL-ANILINE	A	1OVK	0.9
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.77
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.71
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.76
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.73
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.71
MPX	4-({[(4-METHYLPIPERAZIN-1-YL)AMINO]CARBONOTHIOYL}AMINO)BENZENESULFONAMIDE	A	1ZH9	0.7
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.81
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.76
ANL	ANILINE	A	2OV4	0.74
ANL	ANILINE	A	1AEE	0.74
ANL	ANILINE	A	1PPA	0.74
ANL	ANILINE	A	1HJ9	0.74
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1C3S	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C	3C0Z	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A	1T69	0.72
SHH	OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE	A,B,C,D	1ZZ1	0.72
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.75
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.75
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.73
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.76
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.74
PL0	1-phenylguanidine	A	2O8W	0.76
EOB	{1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID)	A,B,C,D	2FZG	0.71
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
OSP	SULTHIAME	A	2Q1Q	0.74
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.72
264	(phenylamino)acetonitrile	A	2RBN	0.89
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.71
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.71
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	0.73
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	0.73
1AN	2-FLUOROANILINE	A	1LGW	0.71
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPR	0.72
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A,B	2OPS	0.72
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPP	0.72
HBQ	ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE	A	2OPQ	0.72
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.73
665	(3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE	A	2H7L	0.7
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	0.74
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.77
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.8
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.8
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.81
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.79
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.81
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.81
BSU	1,3-DIPHENYLUREA	A	3E85	0.77
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.77
1MR	N-METHYLANILINE	X	2OTZ	0.88
A8B		A	1ODC	0.76
11X	N-(pyridin-3-ylmethyl)aniline	A	3EJ0	0.72
IDM	INDOLINE	A,B	3CEP	0.77
IDM	INDOLINE	A	1AEK	0.77