Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00049997

Ligand	Ligand name	Chain	PDB	Tanimoto
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.71
34A	3,4-DIMETHYLANILINE	A	1L4K	0.92
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.89
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.89
5NS	5-aminonaphthalene-1-sulfonic acid	A,B	3CFT	0.76
1AN	2-FLUOROANILINE	A	1LGW	0.77
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.75
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.72
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.72
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.71
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.74
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.74
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.74
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.74
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.74
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.84
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.84
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.84
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.84
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.92
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.92
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.92
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.92
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.7
1MR	N-METHYLANILINE	X	2OTZ	0.72
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.74
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.73
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.79
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.74
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.71
AFF	2-ACETYLAMINOFLUORENE-3-YL	A	2GE2	0.79
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.86
BSU	1,3-DIPHENYLUREA	A	3E85	0.71
BSU	1,3-DIPHENYLUREA	A	2ZJF	0.71
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.74
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.74
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.73
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.73
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.75
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.75
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.73
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.74
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.82
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.88
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.88
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.71
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.71
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.74
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.79
PBZ	P-AMINO BENZAMIDINE	A,B	2BDG	0.79
PBZ	P-AMINO BENZAMIDINE	A	1RFN	0.79
PBZ	P-AMINO BENZAMIDINE	A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P	2BDI	0.79
PBZ	P-AMINO BENZAMIDINE	A,B,C,D	2BDH	0.79
PBZ	P-AMINO BENZAMIDINE	A	1FIZ	0.79
PBZ	P-AMINO BENZAMIDINE	A	1FIW	0.79
PBZ	P-AMINO BENZAMIDINE	H,L,T	2A2Q	0.79
MAZ	FORMIC ACID 3-AMINO-BENZYL ESTER	H,L	1JYQ	0.7
MGR	MALACHITE GREEN	A,B	3BQZ	0.74
MGR	MALACHITE GREEN	A	1Q8N	0.74
MGR	MALACHITE GREEN	A,B	3BR0	0.74
MGR	MALACHITE GREEN	A,D,E	3BTL	0.74
MGR	MALACHITE GREEN	A,B,D,E	3BTC	0.74
MGR	MALACHITE GREEN	A,B,D,E	1JUP	0.74
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.71
IDM	INDOLINE	A,B	3CEP	0.75
IDM	INDOLINE	A	1AEK	0.75
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.73
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.75
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.87
ABN	BENZYLAMINE	D,H	2HXC	0.74
ABN	BENZYLAMINE	A,I	1A86	0.74
ABN	BENZYLAMINE	A	1UTN	0.74
ABN	BENZYLAMINE	A	1N6X	0.74
ABN	BENZYLAMINE	A	2BZA	0.74
ABN	BENZYLAMINE	A	2EUS	0.74
ABN	BENZYLAMINE	A	1N6Y	0.74
ABN	BENZYLAMINE	A	1UTJ	0.74
4NM	4-NITROPHENYL METHANETHIOL	A,B	2VO4	0.71
SBN	2-AMINO-6-(3,5-DIMETHYLPHENYL)SULFONYLBENZONITRILE	A	1JLQ	0.7
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.8
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.87
NBE	NITROSOBENZENE	A	1LH7	0.72
NBE	NITROSOBENZENE	A	2LH7	0.72
NBE	NITROSOBENZENE	A	2NSS	0.72
BRN	BERENIL	A,B	268D	0.78
BRN	BERENIL	A,B	1D63	0.78
BRN	BERENIL	A,D,E	2GBY	0.78
BRN	BERENIL	A	2DBE	0.78
BRN	BERENIL	A	2GVR	0.78
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.71
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.72
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.85
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.74
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.81
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.71
PRY	2-PROPYL-ANILINE	A	1OWY	0.9
OCH	QUINOLIN-2(1H)-ONE	A,B,C,D,E,F	1Z03	0.7
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.73
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.73
N2M	5-AMINO-NAPHTALENE-2-MONOSULFONATE	C,D	1HKN	0.76
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.73
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.73
NYL	N-ALLYL-ANILINE	A	1OVK	0.72
271	N-methyl-1-phenylmethanamine	X	2RBT	0.7
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.76
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.76
ANL	ANILINE	A	2OV4	0.8
ANL	ANILINE	A	1AEE	0.8
ANL	ANILINE	A	1PPA	0.8
ANL	ANILINE	A	1HJ9	0.8
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.71
3NT	3-NITROTOLUENE	A,B	2BMR	0.76
3NT	3-NITROTOLUENE	A,B	2HMO	0.76