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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00732970

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D943-[cis-3-(4-methylpiperazin-1-yl)cyclobutyl]-
1-(2-phenylquinolin-7-yl)imidazo[1,5-
a]pyrazin-8-amine
A3D940.72
DF9(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-
d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-
3-ol
A,B3DF90.72
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.78
D2A2-(4'-AMIDINOBIPHENYL-4-YL)-1H-
BENZIMIDAZOLE-5-AMIDINE
A2B0K0.88
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
A1O2S0.75
CR42-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}BENZENOLATE
B1P570.75
1IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOTHIAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1N0.7
M1B2-{3'-[AMINO(IMINO)METHYL]BIPHENYL-
4-YL}-1H-BENZIMIDAZOLE-5-CARBOXIMIDAMIDE
A2I5A0.88
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUH0.8
BAOBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANONEA1XUI0.8
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.73
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.74
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJB0.76
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GJ50.76
1302-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GJC0.76
5MB5-METHYLBENZIMIDAZOLEA1JHM0.79
IBB5-(2-IMIDAZOLINYL)-2-[2-(4-HYDROXYPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
A109D0.72
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.73
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.73
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.74
RKAN,N'-(1H-PYRROLE-2,5-DIYLDI-4,1-
PHENYLENE)DIBENZENECARBOXIMIDAMIDE
A2GYX0.74
IZ1N-[(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-(4-phenyl-1H-imidazol-2-yl)ethyl]-
3-(trifluoromethyl)benzenesulfonamide
A2VEU0.72
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.8
IDZ3-(1H-BENZIMIDAZOL-2-YL)-1H-INDAZOLEA2C3L0.79
TQ55-[4-TERT-BUTYLPHENYLSULFANYL]-
2,4-QUINAZOLINEDIAMINE
A,B1IA30.75
DLI(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
B2OAG0.73
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.73
FTBN-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-
2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-
PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE
A1NHX0.72
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.77
TQ35-PHENYLSULFANYL-2,4-QUINAZOLINEDIAMINEA,B1IA10.75
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.74
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.79
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.8
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.75
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.7
8022-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-4-FLUOROBENZENOLATE
A1O350.74
VGD6-chloro-1H-benzimidazol-2-amineA,B,C,D2WD70.73
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
A1NDV0.79
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.85
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.85
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.85
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.85
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.9
DX26-phenylpteridine-2,4,7-triamineA,B,C,D3BME0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.73
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.73
BOZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINCA1XUJ0.74
DB92-{4'-[AMINO(IMINO)METHYL]BIPHENYL-
3-YL}-1H-BENZIMIDAZOLE-6-CARBOXIMIDAMIDE
A,B2NLM0.88
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A,C,D3F5X0.76
EZV4-{3-[7-(4-methylpiperazin-1-yl)-
1H-benzimidazol-2-yl]-1H-indazol-
6-yl}aniline
A3EZV0.76
AAItrans-4-(7-carbamoyl-1H-benzimidazol-
2-yl)-1-propylpiperidinium
A2RCW0.72
C024-(5-BENZENESULFONYLAMINO-1-METHYL-
1H-BENZOIMIDAZOL-2-YLMETHYL)-BENZAMIDINE
B,C1KTT0.81
TSXN-[4-(1-ALLYL-3-BUTYL-2,6-DIOXO-
2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL)-
PHENYL]-ACETAMIDE
A1M510.71
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.7
TRM1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACIDA1FQ40.73
5MSN-{2-methyl-5-[(6-phenylpyrimidin-
4-yl)amino]phenyl}methanesulfonamide
A3EXO0.7
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
G2FJV0.74
HXL2-(4-(4-CARBAMIMIDOYLPHENOXY)PHENYL)-
1H-BENZO[D]IMIDAZOLE-6-CARBOXIMIDAMIDE
B2FJX0.74
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.7
22M2-(2-METHYLPHENYL)-1H-INDOLE-6-
CARBOXIMIDAMIDE
A2G5V0.72
23M2-(3-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G5N0.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI00.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
B1GI80.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I1GHW0.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI10.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI30.73
BMZ2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
H,I,L1GHX0.73
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2I0.8
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2J0.8
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2H0.8
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2D0.8
BAKBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONEA1C2E0.8
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI70.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
H,I1GHV0.75
1202-(2-OXO-1,2-DIHYDRO-PYRIDIN-3-
YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GHZ0.75
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.72
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.82
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.82
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.82
BZIBENZIMIDAZOLEA1RYC0.75
BZIBENZIMIDAZOLEA1L5F0.75
BZIBENZIMIDAZOLEA1KXM0.75
TQ45-[(4-METHYLPHENYL)SULFANYL]-2,4-
QUINAZOLINEDIAMINE
A,B1IA20.75
VGF1-(3,4-DICHLOROBENZYL)-7-PHENYL-
1H-BENZIMIDAZOL-2-AMINE
A,B,C,D2WD80.74
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2N0.72
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2M0.72
7623-{5-[AMINO(IMINIO)METHYL]-6-CHLORO-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O2L0.72
MI22-(2-METHYLPHENYL)-1H-INDOLE-5-
CARBOXIMIDAMIDE
A2G8T0.72
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A2EWA0.81
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1A9U0.81
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1PME0.81
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O380.76
6535-(2-AMINOETHYL)-3-{5-[AMINO(IMINIO)METHYL]-
1H-BENZIMIDAZOL-2-YL}-1,1'-BIPHENYL-
2-OLATE
A1O370.76
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI40.73
1222-(2-HYDROXY-PHENYL)-3H-BENZOIMIDAZOLE-
5-CARBOXAMIDINE
A1GI20.73
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.81
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.81
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O390.78
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3D0.78
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3C0.78
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3A0.78
7803-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-1,1'-BIPHENYL-2-OLATE
A1O3B0.78
IMK2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-
1-BENZIMIDAZOLE
A1XKX0.7
78P(2R)-2-(7-carbamoyl-1H-benzimidazol-
2-yl)-2-methylpyrrolidinium
A2RD60.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.7
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.78
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE
B1QV40.81
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
A2B3E0.85
E964-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-
5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-
BENZENE]
A453D0.73
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2J6M0.74
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2JIU0.74
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITT0.74
AEE6-{4-[(4-ETHYLPIPERAZIN-1-YL)METHYL]PHENYL}-
N-[(1R)-1-PHENYLETHYL]-7H-PYRROLO[2,3-
D]PYRIMIDIN-4-AMINE
A2ITP0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.75
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.75
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.75
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.75
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.75
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.75
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.75
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.75
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.7
BMV3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-
4-(THIEN-2-YLSULFONYL)-2,3,4,5-
TETRAHYDRO-1H-1,4-BENZODIAZEPINE-
7-CARBONITRILE
B1SA50.72
IZEN-{(1S)-2-{4-[(5R)-1,1-DIOXIDO-
3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}-
1-[5-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-
2-YL]ETHYL}-2,2,2-TRIFLUOROACETAMIDE
A2CNG0.75
DFZ3-AMINO-3-BENZYL-[4.3.0]BICYCLO-
1,6-DIAZANONAN-2-ONE
A2BRM0.7
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2G0.79
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEA1C2F0.79
BAHBIS(5-AMIDINO-2-BENZIMIDAZOLYL)METHANE KETONE HYDRATEH,I,L1C1W0.79
JN5(2S)-1,3-benzothiazol-2-yl{2-[(2-
pyridin-3-ylethyl)amino]pyrimidin-
4-yl}ethanenitrile
A3CY30.71
D134-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
A1IAN0.81
BAZBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE ZINCA1XUF0.79
MA9(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
3-AMINE
A2OQV0.7
NZOnocodazoleA,B3EE20.74
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.73
F32(5S)-5-{4-[(2S)-2-(1H-BENZIMIDAZOL-
2-YL)-2-(1,3-BENZOTHIAZOL-2-YLAMINO)ETHYL]PHENYL}ISOTHIAZOLIDIN-
3-ONE 1,1-DIOXIDE
A2CNF0.78
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.85
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.85
S986-amino-2-[(thiophen-2-ylmethyl)amino]-
1,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one
A3C2Z0.71
GVK6-{4-[4-(4-CHLOROPHENYL)PIPERIDIN-
4-YL]PHENYL}-9H-PURINE
A2UW00.72
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
B311D0.87
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.71
G372-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID 3-[(1H-BENZIMIDAZOL-
2-YLMETHYLCARBAMOYL)-1-BENZYL-2-
HYDROXYPROPYL]-AMIDE
A1HTG0.72
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.71