MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02521161

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	0.78
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.75
NP2	N-(3-AMINOPROPYL)-2-NITROBENZENAMINE	A	1WUM	0.73
T2D	1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE	A	2BGE	0.7
SC5	2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL	H	1YNK	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.7
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.74
264	(phenylamino)acetonitrile	A	2RBN	0.83
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.77
PHJ	N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE	A,B	1UR9	0.71
A8B		A	1ODC	0.75
12Q	1-METHYLQUINOLIN-2(1H)-ONE	A,B	2F64	0.73
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.72
GA0	GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE	A	2DCM	0.71
LO1	[[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID,	A	1WAX	0.76
GEP	N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION	L	25C8	0.73
BSU	1,3-DIPHENYLUREA	A	3E85	0.71
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.71
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.74
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.74
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.78
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.78
G1L	3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE	A,B	2I80	0.74
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.77
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.77
566	(3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE	A	2H7I	0.71
LGD	6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE	A	2HVC	0.74
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A,B	1EK1	0.73
CIU	N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA	A	1VJ5	0.73
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.76
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.73
34A	3,4-DIMETHYLANILINE	A	1L4K	0.78
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.73
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.73
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	2BDI	0.73
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.73
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.73
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.73
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.73
URS	N-PHENYLTHIOUREA	A,B	1BUG	0.73
34T	(3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline	H	1ETR	0.71
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM	A	1E3Q	0.77
1MR	N-METHYLANILINE	X	2OTZ	0.82
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	C	1LXF	0.73
BEP	1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE	A	1DTL	0.73
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.73
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.85
W22	[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid	A,B	2WKW	0.73
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.74
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine	A,B,D	3GQT	0.85
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.76
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.9
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.9
NYL	N-ALLYL-ANILINE	A	1OVK	0.84
44B	1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL	A,B,C,D	1PQ9	0.7
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.81
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A	1S6R	0.71
IAP	4-IODO-ACETAMIDO PHENYLBORONIC ACID	A,B	1K6S	0.71
171	2-PHENYLAMINO-ETHANESULFONIC ACID	A,B	1SXG	0.73
221	(2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE	A,B	2IJN	0.71
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.8
IDM	INDOLINE	A,B	3CEP	0.84
IDM	INDOLINE	A	1AEK	0.84
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.78
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.71
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.71
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.71
271	N-methyl-1-phenylmethanamine	X	2RBT	0.77
PL0	1-phenylguanidine	A	2O8W	0.72
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q6H	0.77
CXX	3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2QEI	0.77
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.79
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.7
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.7
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.87
DPK	DEPRENYL	A,B	2BYB	0.72
MGR	MALACHITE GREEN	A,B	3BQZ	0.78
MGR	MALACHITE GREEN	A	1Q8N	0.78
MGR	MALACHITE GREEN	A,B	3BR0	0.78
MGR	MALACHITE GREEN	A,D,E	3BTL	0.78
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.78
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.78
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.74
TSN	TRICHOSTATIN A	A,B	1T64	0.7
TSN	TRICHOSTATIN A	A,B	1C3R	0.7
TSN	TRICHOSTATIN A	A,B,C	3F0R	0.7
TSN	TRICHOSTATIN A	A,B,C	3C10	0.7