Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00371940

Ligand	Ligand name	Chain	PDB	Tanimoto
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.83
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.83
FAF	2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE	B,C	1GGD	0.7
GB2	(2R,3R,4S)-2-({[(1S)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL	A	2F1A	0.73
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.72
GB1	(2R,3R,4S)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE-3,4-DIOL	A	2F18	0.73
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.73
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.8
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.8
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.72
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.73
SMK	(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(2-aminoethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide	A,B	3EYL	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.74
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.74
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.75
FPB	N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE	A,B	2BUB	0.72
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.86
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.77
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.77
CPU		A,B	1CR6	0.74
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.77
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QJU	0.75
DSM	3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE	A	2QB4	0.75
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	A,B,C,D	1TP7	0.73
DI2	AC-(D)PHE-PRO-BOROLYS-OH	H	1LHD	0.72
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.77
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.78
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.78
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.78
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.71
13U	N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZHE	0.7
21U	D-leucyl-N-(3-chlorobenzyl)-L-prolinamide	H,I	2ZGB	0.73
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
DI5	AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH	H	1LHG	0.73
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.7
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.7
ABN	BENZYLAMINE	D,H	2HXC	0.76
ABN	BENZYLAMINE	A,I	1A86	0.76
ABN	BENZYLAMINE	A	1UTN	0.76
ABN	BENZYLAMINE	A	1N6X	0.76
ABN	BENZYLAMINE	A	2BZA	0.76
ABN	BENZYLAMINE	A	2EUS	0.76
ABN	BENZYLAMINE	A	1N6Y	0.76
ABN	BENZYLAMINE	A	1UTJ	0.76
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.75
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.76
DI4	AC-(D)PHE-PRO-BOROHOMOLYS-OH	H	1LHF	0.72
998	N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE	A	1TFQ	0.73
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.84
31U	D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZNK	0.73
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.77
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.73
PSS	ETHYLAMINOBENZYLMETHYLCARBONYL GROUP	A	1EAG	0.73
49U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide	A	2ZDN	0.7
49U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide	H,I	2ZHF	0.7
64U	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide	H,I	3DUX	0.71
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.76
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.74
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.74
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.77
PRY	2-PROPYL-ANILINE	A	1OWY	0.71
44U	beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide	B,D	3DA9	0.73
BI6	(3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE	A	2JK7	0.7
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.79
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.79
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.75
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.74
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.75
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.7
GB3	(2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY-1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE-3,4-DIOL	A	2F1B	0.74
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.83
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.83
16U	N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide	H,I	3DT0	0.73
24U	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZI2	0.72
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.76
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.76
DPK	DEPRENYL	A,B	2BYB	0.84
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.74
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.75
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.75
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.75
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.75
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.72
29U	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZGX	0.72
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.7
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.7
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.73
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.83
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.83
IXX	3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-N,N-DIMETHYLPROPAN-1-AMINE	A	2Q72	0.7
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.78
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.78
F1K	(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide	A,B,C	2ZJK	0.71
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl-4-phenylpentyl]piperidine	A	2JJG	0.77
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.76
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.76
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.76
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.76
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.76
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.76
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.8
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.8
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.8
X23	(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-7-(aminomethyl)-N-(diphenylmethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide	A,B,C,D,E,F,G,H,I,J	3CM2	0.71
F1J	(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide	A	2ZJJ	0.71
26U	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide	H,I	2ZIQ	0.73
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.75
N4T	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE	A,B	2FL2	0.72
19U	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide	H,I	2ZFP	0.73
G0G	N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE)	A,B	2PQZ	0.72
IDM	INDOLINE	A,B	3CEP	0.77
IDM	INDOLINE	A	1AEK	0.77
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.74
SRE	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine	A	3GWU	0.7