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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03161951

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.78
FBA4-FLUOROBENZYLAMINEA1TNH0.78
C2A1-(3-CHLOROPHENYL)METHANAMINEB,I2C8Z0.71
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.73
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.71
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.71
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.71
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.86
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.86
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.71
PRY2-PROPYL-ANILINEA1OWY0.72
BZZBENZYLHYDRAZINEA,B2E2V0.74
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.76
RASN-PROPARGYL-1(R)-AMINONDANA,B2BK40.79
RASN-PROPARGYL-1(R)-AMINONDANA,B1S2Q0.79
DMX3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-
1-SULFONATE
A,B,C,D1TP70.73
ABNBENZYLAMINED,H2HXC0.81
ABNBENZYLAMINEA,I1A860.81
ABNBENZYLAMINEA1UTN0.81
ABNBENZYLAMINEA1N6X0.81
ABNBENZYLAMINEA2BZA0.81
ABNBENZYLAMINEA2EUS0.81
ABNBENZYLAMINEA1N6Y0.81
ABNBENZYLAMINEA1UTJ0.81
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
IDI7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINEA,B1N7J0.77
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA1QWC0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1FOI0.78
14WN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINEA,B1QW50.78
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.84
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.84
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.73
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.73
PYLPHENYLETHANEC1B070.71
PYLPHENYLETHANEA,B2VRM0.71
PYLPHENYLETHANEA1NHB0.71
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.83
C2B1-(4-CHLOROPHENYL)METHANAMINED,H2Q7Q0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.84
RMAN-[(1S)-2,3-DIHYDRO-1H-INDEN-1-
YL]-N-METHYL-N-PROP-2-YNYLAMINE
A,B1S3B0.73
N4BN-BUTYLBENZENEA186L0.71
271N-methyl-1-phenylmethanamineX2RBT0.87
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.81
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.83
PEA2-PHENYLETHYLAMINEA1TNJ0.83
PEA2-PHENYLETHYLAMINED,H2HKM0.83
PEA2-PHENYLETHYLAMINEA1UTO0.83
PEA2-PHENYLETHYLAMINEA,B1D6Y0.83
PEA2-PHENYLETHYLAMINEA,B1D6Z0.83
PEA2-PHENYLETHYLAMINEA,B1D6U0.83
PEA2-PHENYLETHYLAMINEA1UTM0.83
PHLL-PHENYLALANINOLA,B1JOH0.7
PHLL-PHENYLALANINOLI3APR0.7
PHLL-PHENYLALANINOLA1DLZ0.7
PHLL-PHENYLALANINOLA1IH90.7
PHLL-PHENYLALANINOLA1OB40.7
PHLL-PHENYLALANINOLI2ER60.7
PHLL-PHENYLALANINOLA1R9U0.7
PHLL-PHENYLALANINOLA1OB70.7
PHLL-PHENYLALANINOLA,B1OB60.7
PHLL-PHENYLALANINOLA,B,C1AMT0.7
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C730.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B1S2Y0.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C750.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C760.79
RSAN-PROPARGYL-1(S)-AMINOINDANA,B2C720.79
CPUA,B1CR60.8
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.7
PHMPHENYLALANYLMETHANEA,I1PJP0.73
PHMPHENYLALANYLMETHANEA,B,C2J9J0.73
PHMPHENYLALANYLMETHANEA,B,C2JE40.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.7
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.7
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.7
NFAPHENYLALANINE AMIDEA2A4O0.7
NFAPHENYLALANINE AMIDEA,B1XAE0.7
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.7
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.7
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.7
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.77
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.76
RM1N-METHYL-1(R)-AMINOINDANA,B2C670.81
SRBL-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C3VGC0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.79
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.73
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.73
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.8
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.8
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.81
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.7
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.84
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.84
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.73
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.76
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.77
TTXTENTOXINB1KMH0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.71
XYD2,5-DIMETHYLANILINEA1L4L0.71
DPKDEPRENYLA,B2BYB0.86
NYLN-ALLYL-ANILINEA1OVK0.7
PHAPHENYLALANINALA,B1OB20.7
PHAPHENYLALANINALV,Y,Z2WDG0.7
PHAPHENYLALANINALV,Y,Z2WDK0.7
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z
1M900.7
PHAPHENYLALANINALP3SGA0.7
PHAPHENYLALANINALA,B,C,D,E,F1OB50.7
PHAPHENYLALANINALV,Y,Z2WDM0.7
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z
1KQS0.7
PHAPHENYLALANINALA,B1KDV0.7
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z
1Q860.7
PHAPHENYLALANINALA,B1KDY0.7
PHAPHENYLALANINALV,Y,Z3FIC0.7
PHAPHENYLALANINALV,Y,Z2WDH0.7
PHAPHENYLALANINALA,B1KE20.7
FPRPROPYLBENZENEC1RHK0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
SRDD-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACIDB,C4VGC0.71
PBN4-PHENYLBUTYLAMINEA1TNI0.84
PBN4-PHENYLBUTYLAMINEA1UTP0.84
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.71
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.71
PRA3-PHENYLPROPYLAMINEA1TNK0.84
PRA3-PHENYLPROPYLAMINEM1UTL0.84
BNFN-BENZYLFORMAMIDEA,B1U3U0.79
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.71
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.8
B2FPHENYLALANINE BORONIC ACIDA,P1P060.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.8
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.8