Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021366

Ligand	Ligand name	Chain	PDB	Tanimoto
BRN	BERENIL	A,B	268D	0.79
BRN	BERENIL	A,B	1D63	0.79
BRN	BERENIL	A,D,E	2GBY	0.79
BRN	BERENIL	A	2DBE	0.79
BRN	BERENIL	A	2GVR	0.79
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	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
N2M	5-AMINO-NAPHTALENE-2-MONOSULFONATE	C,D	1HKN	0.75
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.72
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.72
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.85
PRY	2-PROPYL-ANILINE	A	1OWY	0.91
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
1MR	N-METHYLANILINE	X	2OTZ	0.73
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.75
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.75
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.75
1AN	2-FLUOROANILINE	A	1LGW	0.78
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.8
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.86
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.72
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.72
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.72
3NT	3-NITROTOLUENE	A,B	2BMR	0.77
3NT	3-NITROTOLUENE	A,B	2HMO	0.77
EBW	4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM	A	1E3Q	0.7
IDM	INDOLINE	A,B	3CEP	0.76
IDM	INDOLINE	A	1AEK	0.76
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.74
264	(phenylamino)acetonitrile	A	2RBN	0.71
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.75
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.75
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.71
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
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.74
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.71
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.83
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.75
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.75
271	N-methyl-1-phenylmethanamine	X	2RBT	0.71
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.74
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.74
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.72
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.75
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.75
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.73
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.8
NYL	N-ALLYL-ANILINE	A	1OVK	0.73
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.9
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.9
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.9
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.9
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.87
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.87
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.9
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.9
ABN	BENZYLAMINE	D,H	2HXC	0.75
ABN	BENZYLAMINE	A,I	1A86	0.75
ABN	BENZYLAMINE	A	1UTN	0.75
ABN	BENZYLAMINE	A	1N6X	0.75
ABN	BENZYLAMINE	A	2BZA	0.75
ABN	BENZYLAMINE	A	2EUS	0.75
ABN	BENZYLAMINE	A	1N6Y	0.75
ABN	BENZYLAMINE	A	1UTJ	0.75
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.71
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.88
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.8
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.76
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.76
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.73
ANL	ANILINE	A	2OV4	0.81
ANL	ANILINE	A	1AEE	0.81
ANL	ANILINE	A	1PPA	0.81
ANL	ANILINE	A	1HJ9	0.81
34A	3,4-DIMETHYLANILINE	A	1L4K	0.9
MGR	MALACHITE GREEN	A,B	3BQZ	0.75
MGR	MALACHITE GREEN	A	1Q8N	0.75
MGR	MALACHITE GREEN	A,B	3BR0	0.75
MGR	MALACHITE GREEN	A,D,E	3BTL	0.75
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.75
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.75
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.72
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.74
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.74
5NS	5-aminonaphthalene-1-sulfonic acid	A,B	3CFT	0.75
NBE	NITROSOBENZENE	A	1LH7	0.73
NBE	NITROSOBENZENE	A	2LH7	0.73
NBE	NITROSOBENZENE	A	2NSS	0.73
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.71
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.72
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.73
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.73
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.73
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.73
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.73
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.78
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.86
BSU	1,3-DIPHENYLUREA	A	3E85	0.72
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.72
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.8
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.8
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.8
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.8
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.8
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.8
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.75