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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02176531

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LA1(2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-
(QUINOLIN-3-YLMETHYL)-1,4-DIAZEPAN-
1-YL]-N-METHYL-3-(2-NAPHTHYL)PROPANAMIDE
A,B1XUO0.7
KS51-(1-methylethyl)-3-quinolin-6-
yl-1H-pyrazolo[3,4-d]pyrimidin-
4-amine
B3EN60.71
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.75
IMQ(2R,3R,4S)-2-(hydroxymethyl)-1-
(quinolin-8-ylmethyl)pyrrolidine-
3,4-diol
A,B3EPX0.76
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.73
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.73
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.76
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEY0.71
HLO1-[({2,4-BIS[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]-4-CARBAMOYLPYRIDINIUM
A,B2JEZ0.71
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.74
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.81
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.73
PRM3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-
6-PHENYLPHENANTHRIDINIUM
A,B1N5R0.78
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.73
MIB(3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-
3-EN-2-ONE
A1ZS50.76
LL13-pyridin-4-yl-1H-indazoleA3DNE0.78
DCUA,B1J070.78
255N-(tert-butyl)-4-[5-(pyridin-2-
ylamino)quinolin-3-yl]benzenesulfonamide
A,B2R9S0.72
PBO1-PYRIDIN-3-YLBUTAN-1-ONEA1PYJ0.71
3AP3-AMINOPYRIDINEA1AEF0.7
A1E(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A1ZGB0.72
PMD[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-
DIBENZ[B,F]AZEPINE
A1KLK0.72
A8NN-9-(1',2',3',4'-TETRAHYDROACRIDINYL)-
1,8-DIAMINOOCTANE
A1UT60.81
AA7N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLHEPTANE-1,7-DIAMINE
A2CKM0.8
2PT1-[2-(ACRIDIN-9-YLAMINO)ETHYL]-
1,3-DIMETHYLTHIOUREA-PLATINUM(II)-
ETHANE-1,2-DIAMINE
B1XRW0.73
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
9CA9H-CARBAZOLEA,B,C,D,E,F2DE70.7
1SQISOQUINOLIN-1-AMINEA2OHK0.8
LZL7-(2,5-dihydropyrrol-1-yl)-6-phenyl-
pyrido[6,5-d]pyrimidin-2-amine
A,B2V5A0.72
2AQQUINOLIN-2-AMINEA2OHL0.78
LIG3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-
.C.]PYRAZOLE
P1JVP0.73
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.8
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.8
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.82
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE
A1DX40.82
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.75
INDINDOLEA1L4H0.77
INDINDOLEA,B,G1O7N0.77
INDINDOLEA185L0.77
INDINDOLEA,B1EG90.77
INDINDOLEA,B1UUV0.77
INDINDOLEA,C,E2B240.77
INDINDOLEA,B,C,D,E,F2P850.77
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.75
F11N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-
9-YLPENTANE-1,5-DIAMINE
A2CMF0.8
N8TN-[8-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLTHIO)OCTYL]-1,2,3,4-TETRAHYDROACRIDIN-
9-AMINE
A2CEK0.74
PHN1,10-PHENANTHROLINEA1LIH0.95
PHN1,10-PHENANTHROLINEA2LIG0.95
PHN1,10-PHENANTHROLINEA,B2FU70.95
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.79
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.76
4602-[5-(6-METHYLPYRIDIN-2-YL)-2,3-
DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE
A1VJY0.76
6NP6((S)-3-BENZYLPIPERAZIN-1-YL)-3-
(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-
YL)PYRAZINE
A1YQJ0.7
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A2O1I0.73
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A,B3GSK0.73
R1Cbis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[chrysene-
5,6-diiminato(2-)-kappa~2~N,N']rhodium(4+)
A3GSJ0.73
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.73
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
BRA9-[4-(n,n-dimethylamino)phenylamino]-
3,6-bis(3-pyrrolidinopropionamido) acridine
A3CE50.7
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.74
NPMN-[(1E)-PYRIDIN-2-YLMETHYLENE]-
N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE
A,B2ET00.88
RW14-phenylpyrimidineA,B,C3B9S0.77
DPT4,7-DIMETHYL-[1,10]PHENANTHROLINEA,B1I530.93
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.74
RBSN-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-
ACRYLAMIDE
A,B2HWO0.72
3MP3-METHYLPYRIDINEA1EUB0.77
3MP3-METHYLPYRIDINEA1BM60.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.78
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.78
2755-amino-1,2-dimethylpyridiniumX2RBW0.74
DEQDEQUALINIUMA,B,D,E1JT60.82
DEQDEQUALINIUMA,B,D,E3BR20.82
DEQDEQUALINIUMA1OYD0.82
DEQDEQUALINIUMA,B,D,E3BT90.82
DEQDEQUALINIUMA,B,D,E3BTJ0.82
DEQDEQUALINIUMA,B,D,E3BR10.82
D4GA,B,C,D2FDY0.72
QNC2-CARBONYLQUINOLINEA,B1MTB0.72
QNC2-CARBONYLQUINOLINEA,B2FGV0.72
QNC2-CARBONYLQUINOLINEI1IVQ0.72
QNC2-CARBONYLQUINOLINEA,B2FGU0.72
QNC2-CARBONYLQUINOLINEA1JLD0.72
QNC2-CARBONYLQUINOLINEA,B1HXB0.72
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.7
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.71
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.71
P831-(9-ethyl-9H-carbazol-3-yl)-N-
methylmethanamine
A,B2VUK0.72
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.72
PF74-(quinolin-3-ylmethyl)piperidine-
1-carboxylic acid
A,B2VYA0.87
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.71
0471-CYCLOHEXYL-N-{[1-(4-METHYLPHENYL)-
1H-INDOL-3-YL]METHYL}METHANAMINE
A,B2PJL0.76
NPHCYSTEINE-METHYLENE-CARBAMOYL-1,10-
PHENANTHROLINE
A1A180.73
TOT1,1-(4,4,8,8-TETRAMETHYL-4,8-DIAZAUNDECAMETHYLENE)-
BIS-4-3-METHYL-2,3-DIHYDRO-(BENZO-
1,3-THIAZOLE)-2-METHYLIDENE)-QUINOLINIUM
A108D0.73
FPH3-(4-FLUOROPHENYL)-2-PYRIDIN-4-
YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL
A1OZ10.77
LG13,11-DIFLUORO-6,8,13-TRIMETHYL-
8H-QUINO[4,3,2-KL]ACRIDIN-13-IUM
A,B,D1NZM0.77
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE
A328D0.73
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2G970.7
DGBN-[4-(1-BENZOYLPIPERIDIN-4-YL)BUTYL]-
3-PYRIDIN-3-YLPROPANAMIDE
A,B2GVJ0.7
HUX3-CHLORO-9-ETHYL-6,7,8,9,10,11-
HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-
12-AMINE
A1E660.73
2MI2-METHYL-1H-INDOLEA2PIO0.71
A2E(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-
9-YLAMINO)DECYL]AMINO}-5,6,7,8-
TETRAHYDROQUINOLIN-2(1H)-ONE
A,B1ZGC0.72
A2TN-[1-(3-METHYLBUTYL)PIPERIDIN-4-
YL]-N-{4-[METHYL(PYRIDIN-4-YL)AMINO]BENZYL}-
4-PENTYLBENZAMIDE
A,B2IGY0.71
BMON-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-
YLAMINO)PROPYL]PROPANE-1,3-DIAMINE
A2GJB0.79
TZ43,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-4-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q840.74
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.77
ISQISOQUINOLINEA1GDK0.86
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE
A,B1L1H0.72
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.74
UNN(6,7-DIFLUORO-QUINAZOLIN-4-YL)-
(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
A,B,C5STD0.71
3B3(2S)-1-AMINO-3-[(5-NITROQUINOLIN-
8-YL)AMINO]PROPAN-2-OL
A2CGV0.75
3643-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-
DIPHOSPHONOETHYL)PYRIDINIUM
A,B2E940.72
PY14-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-
YL)QUINOLINE
A1PY50.8
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A2JBO0.71
P4O2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-
1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-
C]PYRIDIN-4-ONE
A,B,C,D,E,F,
G,H,I,K,L
2JBP0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.71
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.71
MOJ(5E,7S)-2-amino-7-(4-fluoro-2-pyridin-
3-ylphenyl)-4-methyl-7,8-dihydroquinazolin-
5(6H)-one oxime
A3FT80.74
1CM(2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDEA2CI00.74
EPJEPIBATIDINEA,B,C,D,E2BYQ0.73
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
C8C2-amino-6-[2-(1H-indol-6-yl)ethyl]pyrimidin-
4(3H)-one
A2VA50.71
GG54-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-
4-YL]PYRIDINE
A3HVC0.74
MYTMETYRAPONEA1PHG0.72
MYTMETYRAPONEA1W0G0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNF0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2H9V0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A,B2ETR0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A2GNJ0.72
Y27(R)-TRANS-4-(1-AMINOETHYL)-N-(4-
PYRIDYL) CYCLOHEXANECARBOXAMIDE
A1Q8T0.72
2862-ethenyl-1-methylpyridiniumX2RC20.77
L1B7-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-1-(3-METHOXYPROPYL)QUINOLINIUM
A,B2G210.78
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHQ0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2WHP0.71
HI64-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-
1-YL}METHOXY)METHYL]PYRIDINIUM
A,B2GYU0.71
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.78
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.78
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.71
GW37-(1-ETHYL-PROPYL)-7H-PYRROLO-[3,2-
F]QUINAZOLINE-1,3-DIAMINE
A,B1AOE0.73
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.73
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.72
QMSN-(QUINOLIN-8-YL)METHANESULFONAMIDEA2BB70.83
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
PRLPROFLAVINH,I1BCU0.81
PRLPROFLAVINA,B,D,E1QVT0.81
PRLPROFLAVINA,B2KD40.81
PRLPROFLAVINA1QVU0.81
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.77
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.77
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide
A,B,C,D3EUI0.73
NSCN,N'-BIS(4-AMINO-2-METHYLQUINOLIN-
6-YL)UREA
A,B1PWP0.76
QYT(5E)-5-(QUINOXALIN-6-YLMETHYLENE)-
1,3-THIAZOLIDINE-2,4-DIONE
A2A5U0.74
TZ53,8-DIAMINO-6-PHENYL-5-[6-[1-[2-
[(1,2,3,4-TETRAHYDRO-9-ACRIDINYL)AMINO]ETHYL]-
1H-1,2,3-TRIAZOL-5-YL]HEXYL]-PHENANTHRIDINIUM
A,B1Q830.73
AUP2-(2-PHENYL-3-PYRIDIN-2-YL-4,5,6,7-
TETRAHYDRO-2H-ISOPHOSPHINDOL-1-
YL)PYRIDINE
A2AAQ0.82
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.75
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.75
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.75
NTNISONICOTINAMIDINEA7ADH0.75
THATACRINEA,B2AOW0.84
THATACRINEA,B,C,D,E,F1MX10.84
THATACRINEA,B2AOX0.84
THATACRINEA1ACJ0.84
OA45-methyl-6-phenylquinazoline-2,4-
diamine
A2W6P0.71
I409-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINEA1QON0.8
SM5(1E)-5-(1-piperidin-4-yl-3-pyridin-
4-yl-1H-pyrazol-4-yl)-2,3-dihydro-
1H-inden-1-one oxime
A,B3D4Q0.73
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.72
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.72
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.71
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.76
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine
B2JWQ0.79
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.76
APY2-AMINOMETHYL-PYRIDINEI1IVP0.76
5IQISOQUINOLIN-5-AMINEA,B2F2T0.89
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.77
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA1D300.71
DAP6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLEA432D0.71
TAQ2,4,6-TRIAMINOQUINAZOLINEA,B,C,D,E,F,
G,H
1W0C0.72
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.77