Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00846863

Ligand	Ligand name	Chain	PDB	Tanimoto
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	0.71
DI4	AC-(D)PHE-PRO-BOROHOMOLYS-OH	H	1LHF	0.73
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.75
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.75
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.75
F1K	(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-2-carboxamide	A,B,C	2ZJK	0.73
32U	D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide	H,I	2ZDA	0.72
MBH	1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION	A	1BMA	0.72
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.84
53U	D-phenylalanyl-N-benzyl-L-prolinamide	H,I	2ZFF	0.78
DI2	AC-(D)PHE-PRO-BOROLYS-OH	H	1LHD	0.73
13U	N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZHE	0.74
F1J	(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide	A	2ZJJ	0.73
FA4	SM-25453	A,B	2D1O	0.71
FA4	SM-25453	A,B	2D1N	0.71
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.74
12U	N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	A	2ZHD	0.74
12U	N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZHW	0.74
12U	N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	A	2ZFS	0.74
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.72
IDM	INDOLINE	A,B	3CEP	0.71
IDM	INDOLINE	A	1AEK	0.71
49U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide	A	2ZDN	0.72
49U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide	H,I	2ZHF	0.72
MIN	METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE	H,I	1TOM	0.72
271	N-methyl-1-phenylmethanamine	X	2RBT	0.79
998	N-METHYLALANYL-3-METHYLVALYL-N-(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)PROLINAMIDE	A	1TFQ	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.74
DP7	AC-(D)PHE-PRO-BOROARG-OH	H	1LHC	0.72
FPB	N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-2-YL}METHYL)BENZAMIDE	A,B	2BUB	0.73
51U	D-phenylalanyl-N-(3-methylbenzyl)-L-prolinamide	H,I	2ZF0	0.76
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.81
37U	D-phenylalanyl-N-(3-fluorobenzyl)-L-prolinamide	H,I	2ZDV	0.76
DI5	AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH	H	1LHG	0.74
HDB	(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE	A	1ZMJ	0.72
Y14	N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	A,B	2R9N	0.7
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.76
64U	3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-L-prolinamide	H,I	3DUX	0.71
SP8	N-{(1S)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNS	0.73
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.74
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.72
21U	D-leucyl-N-(3-chlorobenzyl)-L-prolinamide	H,I	2ZGB	0.74
31U	D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZNK	0.75
N5T	(2S)-4-(2,5-DIFLUOROPHENYL)-N,N-DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FL6	0.77
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.71
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.71
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.7
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.7
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
10U	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide	A	2ZFT	0.75
10U	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide	H,I	3BIU	0.75
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.79
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.7
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.7
CPU		A,B	1CR6	0.8
N4T	(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-1H-PYRROL-1-YL]-2-OXOETHANAMINE	A,B	2FL2	0.73
APE	(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID	E,I	1SCN	0.78
JNH	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	I,J	2AJL	0.73
50U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide	A	2ZDK	0.72
50U	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide	H,I	2ZG0	0.72
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.76
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.74
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.74
MN2	1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE	N	1NLO	0.73
N2T	(2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL-2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO-1H-PYRROLE-1-CARBOXAMIDE	A,B	2FKY	0.79
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	0.7
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
16U	N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide	H,I	3DT0	0.74
22U	D-phenylalanyl-N-(3-chlorobenzyl)-L-prolinamide	H,I	2ZC9	0.71
SP9	N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide	A,B	3CNT	0.73
11U	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide	H,I	3BIV	0.75
29U	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZGX	0.75
F1H	N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide	A	2ZJH	0.74
5FH	(5S)-5-benzylimidazolidine-2,4-dione	A	2JLO	0.79
J54	(2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}-2-HYDROXYPROPANOIC ACID	A	2V35	0.72
DPK	DEPRENYL	A,B	2BYB	0.7
19U	1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-L-prolinamide	H,I	2ZFP	0.75
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.81
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.81
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.81
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.77
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.77
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.71
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.71
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.71
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.71
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.71
27U	N-(4-carbamimidoylbenzyl)-1-(3-phenylpropanoyl)-L-prolinamide	H,I	2ZHQ	0.72
24U	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide	H,I	2ZI2	0.75
44U	beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide	B,D	3DA9	0.72
26U	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide	H,I	2ZIQ	0.75