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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021057

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.7
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.76
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.7
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.74
MQ8MENAQUINONE 8C,H,L,M1EYS0.73
DMW2,3-DIMETHYL-1,4-NAPHTHOQUINONEA,B,C,D,E,F2BS40.77
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.72
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.72
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE		A,B2OGZ0.74
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.8
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide		A,B3D4L0.77
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide		A3D7Z0.74
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.85
PHMPHENYLALANYLMETHANEA,I1PJP0.76
PHMPHENYLALANYLMETHANEA,B,C2J9J0.76
PHMPHENYLALANYLMETHANEA,B,C2JE40.76
MQ9MENAQUINONE-9C,H,L,M3D380.73
MQ9MENAQUINONE-9C,H,L,M1VRN0.73
MQ9MENAQUINONE-9C,H,L,M2I5N0.73
MQ9MENAQUINONE-9C,H,L,M,U1DXR0.73
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE		D,E,F,G,H,L,
M,N,O,P		1EEF0.73
MQ7MENAQUINONE-7C,H,L,M1PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,P2B760.73
MQ7MENAQUINONE-7C,H,L,M5PRC0.73
MQ7MENAQUINONE-7C,H,L,M7PRC0.73
MQ7MENAQUINONE-7C,H,L,M2PRC0.73
MQ7MENAQUINONE-7C,H,L,M1R2C0.73
MQ7MENAQUINONE-7A,B,C,E,F,G2VPW0.73
MQ7MENAQUINONE-7C,H,L,M3PRC0.73
MQ7MENAQUINONE-7A,B,D,M,N,O,P1L0V0.73
MQ7MENAQUINONE-7C,H,L,M2JBL0.73
MQ7MENAQUINONE-7C,H,L,M6PRC0.73
BZQDIPHENYLMETHANONEA,B1GT50.76
BZQDIPHENYLMETHANONEA,B1DZP0.76
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE		A,B1FDG0.73
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.71
HBC(2-AMINO-3-PHENYL-BICYCLO[2.2.1]HEPT-
2-YL)-PHENYL-METHANONE		H1JGU0.75
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.78
HBXbenzaldehydeA,B3GDN0.74
3PL3-PHENYLPROPANALE1Y3G0.7
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q1B0.75
LSA1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-
DIOXIDE		A2Q380.75
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.71
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.8
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.77
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.77
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.77
NFAPHENYLALANINE AMIDEA2A4O0.77
NFAPHENYLALANINE AMIDEA,B1XAE0.77
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.77
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.77
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.77
1LPTRANYLCYPROMINEA,B1OJB0.72
PHAPHENYLALANINALA,B1OB20.74
PHAPHENYLALANINALV,Y,Z2WDG0.74
PHAPHENYLALANINALV,Y,Z2WDK0.74
PHAPHENYLALANINAL1,2,4,5,A,B,
C,D,E,J,K,L,
M,N,O,P,R,S,
T,U,V,Z		1M900.74
PHAPHENYLALANINALP3SGA0.74
PHAPHENYLALANINALA,B,C,D,E,F1OB50.74
PHAPHENYLALANINALV,Y,Z2WDM0.74
PHAPHENYLALANINAL0,2,4,9,A,B,
C,H,I,J,K,L,
M,N,P,Q,R,S,
T,X,Y,Z		1KQS0.74
PHAPHENYLALANINALA,B1KDV0.74
PHAPHENYLALANINAL1,2,4,5,6,A,
B,C,D,E,J,K,
L,M,N,O,P,R,
S,T,U,V,Z		1Q860.74
PHAPHENYLALANINALA,B1KDY0.74
PHAPHENYLALANINALV,Y,Z3FIC0.74
PHAPHENYLALANINALV,Y,Z2WDH0.74
PHAPHENYLALANINALA,B1KE20.74
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.71
3AB3-aminobenzamideA,B,C,D3GOY0.81
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.73
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.72
BHOBENZHYDROXAMIC ACIDA,B1GX20.88
BHOBENZHYDROXAMIC ACIDA1HSR0.88
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.88
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.88
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.88
BHOBENZHYDROXAMIC ACIDA3GCK0.88
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H		2BOY0.88
AC01-PHENYLETHANONEA1ZK10.8
AC01-PHENYLETHANONEA1ZK40.8
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
PQNPHYLLOQUINONEA,B,C,F,I,J,
K,L,M,X		1JB00.73
PQNPHYLLOQUINONE1,2,3,4,A,B,
C,F,G,H,I,J,
K,L		2O010.73
PQNPHYLLOQUINONEA,B,C,F,K,L2PPS0.73
PQNPHYLLOQUINONEA,B,C,F,K,L1C510.73
PQNPHYLLOQUINONE0,1,2,3,4,5,
6,7,8,9,A,B,
C,F,G,H,J,K,
L,P,Q,R,U,V,
W,Z		1QZV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.73
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.73
APZ4-AMINOPHTHALHYDRAZIDEA1ENU0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.8
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
VK3MENADIONEA1TUV0.77
VK3MENADIONEA,B2QR20.77
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.77