Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00480212

Ligand	Ligand name	Chain	PDB	Tanimoto
3NT	3-NITROTOLUENE	A,B	2BMR	0.74
3NT	3-NITROTOLUENE	A,B	2HMO	0.74
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.76
2CM	2-CHLORO-6-METHYL-ANILINE	A	1OVH	0.77
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.89
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.89
APB	M-AMINOPHENYLBORONIC ACID	A,B	3BLS	0.77
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.75
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.71
NFA	PHENYLALANINE AMIDE	A	2A4O	0.71
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.71
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.71
5AN	3,5-DIFLUOROANILINE	A	1LGX	0.74
A8B		A	1ODC	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.77
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.77
ANL	ANILINE	A	2OV4	0.78
ANL	ANILINE	A	1AEE	0.78
ANL	ANILINE	A	1PPA	0.78
ANL	ANILINE	A	1HJ9	0.78
U12	5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG2	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.75
NP1	N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE	A	1WUG	0.73
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.84
TPM	2-(4-AMINOBENZYLAMINO)-3,4,5,6-TETRAHYDROPYRIDINIUM	J,K,L	1F3D	0.74
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.74
CVI	CRYSTAL VIOLET	A,B,D,E	1JTX	0.71
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.82
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.82
IS2	[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID	A	1O4J	0.73
264	(phenylamino)acetonitrile	A	2RBN	0.76
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.76
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.92
IDM	INDOLINE	A,B	3CEP	0.81
IDM	INDOLINE	A	1AEK	0.81
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.71
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.71
PHZ	1-PHENYLHYDRAZINE	A	2E2T	0.74
PHZ	1-PHENYLHYDRAZINE	D,H	2AGL	0.74
NYL	N-ALLYL-ANILINE	A	1OVK	0.76
TFM	S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA	A,B	1K2U	0.73
3AB	3-aminobenzamide	A,B,C,D	3GOY	0.73
UA5	(4-ETHYLPHENYL)SULFAMIC ACID	A,B	2I5X	0.83
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.71
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.78
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.78
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.78
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.78
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.78
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.78
271	N-methyl-1-phenylmethanamine	X	2RBT	0.76
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
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.76
PRY	2-PROPYL-ANILINE	A	1OWY	0.93
SOA	ISATOIC ANHYDRIDE	A	1BIO	0.71
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.87
DPK	DEPRENYL	A,B	2BYB	0.73
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.82
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.76
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.79
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.79
NBE	NITROSOBENZENE	A	1LH7	0.7
NBE	NITROSOBENZENE	A	2LH7	0.7
NBE	NITROSOBENZENE	A	2NSS	0.7
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.71
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.8
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.8
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.79
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.79
NIT	4-NITROANILINE	C,D	1RMH	0.7
NIT	4-NITROANILINE	A,B,D,F,G,H,I	2IXP	0.7
NIT	4-NITROANILINE	B	1VBS	0.7
NIT	4-NITROANILINE	C	1V9T	0.7
NIT	4-NITROANILINE	C,D	1VBT	0.7
NIT	4-NITROANILINE	B	1LOP	0.7
NIT	4-NITROANILINE	C,D	1ZKF	0.7
NIT	4-NITROANILINE	B	1PIP	0.7
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.71
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.76
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELE	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	7EST	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	2EST	0.82
ANI	4-TRIFLUOROMETHYLANILINE	E,I	1ELD	0.82
1AN	2-FLUOROANILINE	A	1LGW	0.76
PNZ	P-NITRO-BENZYLAMINE	A,D,H	2HJ4	0.81
PNZ	P-NITRO-BENZYLAMINE	A,B	2C70	0.81
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.77
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.77
UFO	1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine	A,B,D	3GQT	0.74
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.77
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.77
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.76
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.76
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.87
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.87
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.87
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.87
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.82
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.82
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.76
ASR	4-AMINOPHENYLARSONIC ACID	A	1N4F	0.77
ABN	BENZYLAMINE	D,H	2HXC	0.78
ABN	BENZYLAMINE	A,I	1A86	0.78
ABN	BENZYLAMINE	A	1UTN	0.78
ABN	BENZYLAMINE	A	1N6X	0.78
ABN	BENZYLAMINE	A	2BZA	0.78
ABN	BENZYLAMINE	A	2EUS	0.78
ABN	BENZYLAMINE	A	1N6Y	0.78
ABN	BENZYLAMINE	A	1UTJ	0.78
TNL	2,4,6-TRINITROTOLUENE	A	1GVR	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.87
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
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.72
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.72
1MR	N-METHYLANILINE	X	2OTZ	0.76
U19	5-IMINO-4-(2-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE	A	2GG5	0.74
BRN	BERENIL	A,B	268D	0.73
BRN	BERENIL	A,B	1D63	0.73
BRN	BERENIL	A,D,E	2GBY	0.73
BRN	BERENIL	A	2DBE	0.73
BRN	BERENIL	A	2GVR	0.73