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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02256018

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
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B3CFN0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B2ANS0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1OW40.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA1EYN0.7
2AN1-ANILINO-8-NAPHTHALENE SULFONATEA,B1TXC0.7
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QJU0.74
DSM3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-
5-YL)-N-METHYLPROPAN-1-AMINE
A2QB40.74
ISOPARA-ISOPROPYLANILINEA1BMA0.89
ISOPARA-ISOPROPYLANILINEA,B1ELC0.89
ISOPARA-ISOPROPYLANILINEA,B1ELB0.89
ISOPARA-ISOPROPYLANILINEA,B1ELA0.89
PBZP-AMINO BENZAMIDINEA,B2BDG0.77
PBZP-AMINO BENZAMIDINEA1RFN0.77
PBZP-AMINO BENZAMIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2BDI0.77
PBZP-AMINO BENZAMIDINEA,B,C,D2BDH0.77
PBZP-AMINO BENZAMIDINEA1FIZ0.77
PBZP-AMINO BENZAMIDINEA1FIW0.77
PBZP-AMINO BENZAMIDINEH,L,T2A2Q0.77
N2M5-AMINO-NAPHTALENE-2-MONOSULFONATEC,D1HKN0.74
PHZ1-PHENYLHYDRAZINEA2E2T0.7
PHZ1-PHENYLHYDRAZINED,H2AGL0.7
BRNBERENILA,B268D0.76
BRNBERENILA,B1D630.76
BRNBERENILA,D,E2GBY0.76
BRNBERENILA2DBE0.76
BRNBERENILA2GVR0.76
FLM3-FLUORO-2-METHYL-ANILINEA1OVJ0.8
1504,5-DIMETHYL-1,2-PHENYLENEDIAMINEA1L4F0.84
34A3,4-DIMETHYLANILINEA1L4K0.89
ANCANTHRACEN-1-YLAMINEA,B1GT10.89
ANCANTHRACEN-1-YLAMINEA,B1HN20.89
IDMINDOLINEA,B3CEP0.71
IDMINDOLINEA1AEK0.71
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
UA5(4-ETHYLPHENYL)SULFAMIC ACIDA,B2I5X0.8
APBM-AMINOPHENYLBORONIC ACIDA,B3BLS0.74
PRY2-PROPYL-ANILINEA1OWY0.85
3NT3-NITROTOLUENEA,B2BMR0.7
3NT3-NITROTOLUENEA,B2HMO0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
1AN2-FLUOROANILINEA1LGW0.73
IXX3-(5H-DIBENZO[B,F]AZEPIN-5-YL)-
N,N-DIMETHYLPROPAN-1-AMINE
A2Q720.73
IS2[(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACIDA1O4J0.71
ASR4-AMINOPHENYLARSONIC ACIDA1N4F0.74
XYD2,5-DIMETHYLANILINEA,B,C,D1KYA0.82
XYD2,5-DIMETHYLANILINEA1L4L0.82
ANLANILINEA2OV40.76
ANLANILINEA1AEE0.76
ANLANILINEA1PPA0.76
ANLANILINEA1HJ90.76
MGRMALACHITE GREENA,B3BQZ0.75
MGRMALACHITE GREENA1Q8N0.75
MGRMALACHITE GREENA,B3BR00.75
MGRMALACHITE GREENA,D,E3BTL0.75
MGRMALACHITE GREENA,B,D,E3BTC0.75
MGRMALACHITE GREENA,B,D,E1JUP0.75
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.71
2CM2-CHLORO-6-METHYL-ANILINEA1OVH0.71
ANI4-TRIFLUOROMETHYLANILINEE,I1ELE0.81
ANI4-TRIFLUOROMETHYLANILINEE,I7EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I2EST0.81
ANI4-TRIFLUOROMETHYLANILINEE,I1ELD0.81
AFF2-ACETYLAMINOFLUORENE-3-YLA2GE20.77
AU44,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)A2PYZ0.79
5AN3,5-DIFLUOROANILINEA1LGX0.71
DBP1,3-DIAMINOBENZYL PHENYLALANINEA1A850.8
9AP9-AMINOPHENANTHRENEA1EGY0.9
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.79
5NS5-aminonaphthalene-1-sulfonic acidA,B3CFT0.74
CVICRYSTAL VIOLETA,B,D,E1JTX0.75