Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00848221

Ligand	Ligand name	Chain	PDB	Tanimoto
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.7
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.7
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.71
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.85
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.85
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.72
NBE	NITROSOBENZENE	A	1LH7	0.71
NBE	NITROSOBENZENE	A	2LH7	0.71
NBE	NITROSOBENZENE	A	2NSS	0.71
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.72
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.72
N2M	5-AMINO-NAPHTALENE-2-MONOSULFONATE	C,D	1HKN	0.74
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.78
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.74
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.93
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.93
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.93
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.93
SBN	2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE	A	1JLQ	0.71
NIT	4-NITROANILINE	C,D	1RMH	0.71
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.71
NIT	4-NITROANILINE	B	1VBS	0.71
NIT	4-NITROANILINE	C	1V9T	0.71
NIT	4-NITROANILINE	C,D	1VBT	0.71
NIT	4-NITROANILINE	B	1LOP	0.71
NIT	4-NITROANILINE	C,D	1ZKF	0.71
NIT	4-NITROANILINE	B	1PIP	0.71
3NT	3-NITROTOLUENE	A,B	2BMR	0.73
3NT	3-NITROTOLUENE	A,B	2HMO	0.73
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.78
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.7
BRN	BERENIL	A,B	268D	0.81
BRN	BERENIL	A,B	1D63	0.81
BRN	BERENIL	A,D,E	2GBY	0.81
BRN	BERENIL	A	2DBE	0.81
BRN	BERENIL	A	2GVR	0.81
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.86
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.73
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.73
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.73
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.73
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.73
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.73
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.76
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.86
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.74
264	(phenylamino)acetonitrile	A	2RBN	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.85
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.85
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.77
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.77
34A	3,4-DIMETHYLANILINE	A	1L4K	0.91
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.86
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.86
PRY	2-PROPYL-ANILINE	A	1OWY	0.89
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.73
NYL	N-ALLYL-ANILINE	A	1OVK	0.71
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.75
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.75
4PG	1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine	U	2R2W	0.7
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.72
MGR	MALACHITE GREEN	A,B	3BQZ	0.76
MGR	MALACHITE GREEN	A	1Q8N	0.76
MGR	MALACHITE GREEN	A,B	3BR0	0.76
MGR	MALACHITE GREEN	A,D,E	3BTL	0.76
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.76
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.76
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.74
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.72
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.82
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.8
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.76
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.76
ABN	BENZYLAMINE	D,H	2HXC	0.73
ABN	BENZYLAMINE	A,I	1A86	0.73
ABN	BENZYLAMINE	A	1UTN	0.73
ABN	BENZYLAMINE	A	1N6X	0.73
ABN	BENZYLAMINE	A	2BZA	0.73
ABN	BENZYLAMINE	A	2EUS	0.73
ABN	BENZYLAMINE	A	1N6Y	0.73
ABN	BENZYLAMINE	A	1UTJ	0.73
ANL	ANILINE	A	2OV4	0.79
ANL	ANILINE	A	1AEE	0.79
ANL	ANILINE	A	1PPA	0.79
ANL	ANILINE	A	1HJ9	0.79
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.84
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
DR1	5-METHYL-5H-INDOLO[3,2-B]QUINOLINE	A	1K9G	0.7
5BM	(2Z)-bis{amino[(2-aminophenyl)sulfanyl]methylidene}butanedinitrile	A	3EQH	0.7
1AN	2-FLUOROANILINE	A	1LGW	0.76
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.73
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.72
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.72
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.72
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.72
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.72
IDM	INDOLINE	A,B	3CEP	0.74
IDM	INDOLINE	A	1AEK	0.74
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.73
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.88
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.82
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.82
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.82
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.82
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.82
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.82
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.82
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.78
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
BSU	1,3-DIPHENYLUREA	A	3E85	0.72
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.72
5NS	5-aminonaphthalene-1-sulfonic acid	A,B	3CFT	0.74
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.7
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.84