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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03944644

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ST44-(ACETYLAMINO)-3-GUANIDINOBENZOIC ACIDA1INF0.73
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM		H,L,X,Y1UWG0.7
4PH4-methyl-L-phenylalanineB,C3BV90.7
MBOMERCURIBENZOIC ACIDA2QO80.71
MBOMERCURIBENZOIC ACIDA1LUG0.71
MBOMERCURIBENZOIC ACIDA2HOC0.71
MBOMERCURIBENZOIC ACIDA3EFI0.71
MBOMERCURIBENZOIC ACIDA3BL00.71
MBOMERCURIBENZOIC ACIDA,B,C,D,E,F1NAQ0.71
MBOMERCURIBENZOIC ACIDA3CAJ0.71
MBOMERCURIBENZOIC ACIDA1DR70.71
MBOMERCURIBENZOIC ACIDA2HL40.71
MBOMERCURIBENZOIC ACIDA2GD80.71
MBOMERCURIBENZOIC ACIDA2QP60.71
MBOMERCURIBENZOIC ACIDA2HD60.71
MBOMERCURIBENZOIC ACIDA3C7P0.71
MBOMERCURIBENZOIC ACIDA,B2JHN0.71
MBOMERCURIBENZOIC ACIDA1DR60.71
MBOMERCURIBENZOIC ACIDA2HNC0.71
MBOMERCURIBENZOIC ACIDA2QOA0.71
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.73
3XH3-Hydroxyhippuric acidA3E9K0.75
TYZPARA ACETAMIDO BENZOIC ACIDB,C2BNI0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5K0.73
TYZPARA ACETAMIDO BENZOIC ACIDA1W5J0.73
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.89
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.77
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.7
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid		A,B3EIO0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.7
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.73
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.76
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.71
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.81
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.71
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.77
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B1KDG0.71
EMT2-(ETHYLMERCURI-THIO)-BENZOIC ACIDA,B,C,D1O9L0.71
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		H,L1D6V0.73
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL		A,B,H,L1AXS0.73
MRE2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACIDA,B2V9C0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.71
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.71
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.71
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.73
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.73
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid		A3D7H0.73
PG9D-PHENYLGLYCINEA,B,G,H10GS0.73
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.73
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.77
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
EJ54-[3-(2-amino-4-hydroxy-6-oxo-1,6-
dihydropyrimidin-5-yl)propyl]benzoic acid		X3EJ50.76
3024-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-
TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-
2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID		A2HXM0.72
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE		A1WDA0.71
1974-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-FORMYL-BENZOIC ACID		A1O4A0.71
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.71
FCK3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-
tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid		B3FCK0.74
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H		1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
CIN4-CARBOXYCINNAMIC ACIDA,B,C,D1HAB0.74
CIN4-CARBOXYCINNAMIC ACIDA,B1T6J0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.75
ST64-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACIDA,B1INH0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.75
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.71
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE		B2FP70.7
XP14-(DIMETHYLAMINO)BENZOIC ACIDA,B2VJ10.73
XP14-(DIMETHYLAMINO)BENZOIC ACIDA2V6N0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid		A,B3FCL0.78
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.76
MEAN-METHYLPHENYLALANINEA2PIL0.72
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.72
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.72
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.9
072(+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)-
2-HEPTYL-4-OXO-5-THIAZOLIDINE		A,B,C,D4PRG0.7
ST34-(ACETYLAMINO)-3-AMINO BENZOIC ACIDA,B1IVE0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.73
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.73
UBC(S)-1-(2-AMINO-2-CARBOXYETHYL)-
3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-
DIONE		A,B2F350.75
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1PI50.73
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A1NXY0.73
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1MXO0.73
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID		A,B1YM10.73
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.8
BEZBENZOIC ACIDA,B2F8D0.71
BEZBENZOIC ACIDA,B1A8U0.71
BEZBENZOIC ACIDA,B1REE0.71
BEZBENZOIC ACIDA1L7Q0.71
BEZBENZOIC ACIDA1I690.71
BEZBENZOIC ACIDH,L1RUL0.71
BEZBENZOIC ACIDA,B3CCF0.71
BEZBENZOIC ACIDA1W9Q0.71
BEZBENZOIC ACIDA,B,G,J2DU80.71
BEZBENZOIC ACIDH,L1RUA0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1H4O0.71
BEZBENZOIC ACIDH,L1RU90.71
BEZBENZOIC ACIDA,B,C,D2V320.71
BEZBENZOIC ACIDA2QMQ0.71
BEZBENZOIC ACIDA1UKB0.71
BEZBENZOIC ACIDA,B1RED0.71
BEZBENZOIC ACIDA,B1OC30.71
BEZBENZOIC ACIDA,B1REF0.71
BEZBENZOIC ACIDA,B2O020.71
BEZBENZOIC ACIDA,B2VJ10.71
BEZBENZOIC ACIDA,B,C1WSP0.71
BEZBENZOIC ACIDA1HZ40.71
BEZBENZOIC ACIDA2Q380.71
BEZBENZOIC ACIDA,B,C,D1UUJ0.71
BEZBENZOIC ACIDA,B2QL80.71
BEZBENZOIC ACIDA2Q0I0.71
BEZBENZOIC ACIDA,B1S8F0.71
BEZBENZOIC ACIDD,E,F,G,H1DJR0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I		1ONI0.71
BEZBENZOIC ACIDA,B,C,D1I7Q0.71
BEZBENZOIC ACIDA,B,C,D2RHM0.71
BEZBENZOIC ACIDA,B2F780.71
BEZBENZOIC ACIDA,B2VL20.71
BEZBENZOIC ACIDA1HD20.71
BEZBENZOIC ACIDA1JU40.71
BEZBENZOIC ACIDH,L2AJY0.71
BEZBENZOIC ACIDA,B,C3GV10.71
BEZBENZOIC ACIDA2Q6U0.71
BEZBENZOIC ACIDA,B1VE90.71
BEZBENZOIC ACIDA,B1S9A0.71
BEZBENZOIC ACIDH,L,M1OP30.71
BEZBENZOIC ACIDA1W9E0.71
BEZBENZOIC ACIDA,B,C,D2V2G0.71
BEZBENZOIC ACIDH,L2AK10.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		2V410.71
BEZBENZOIC ACIDA,B1GYX0.71
BEZBENZOIC ACIDA1V1T0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.71
BEZBENZOIC ACIDA,B1HKQ0.71
BEZBENZOIC ACIDH,L1RUK0.71
BEZBENZOIC ACIDA2Q1B0.71
BEZBENZOIC ACIDH,L1RUM0.71
BEZBENZOIC ACIDA,B2F7A0.71
BEZBENZOIC ACIDA,B,C,D,E,F,
G,H		1KIF0.71
BEZBENZOIC ACIDA,B2V7B0.71
BEZBENZOIC ACIDH1NCW0.71
BEZBENZOIC ACIDA,B1TMX0.71
BEZBENZOIC ACIDA1URM0.71
BEZBENZOIC ACIDA1W9O0.71
BEZBENZOIC ACIDA,B,C,D1GXS0.71
BEZBENZOIC ACIDH1RUP0.71
BEZBENZOIC ACIDA,B,C,D1KQB0.71
BEZBENZOIC ACIDA2Q9R0.71
BEZBENZOIC ACIDD,H2OK60.71
BEZBENZOIC ACIDA,B2Q0J0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1Q0B0.77
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE		A,B1X880.77
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFK0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZFQ0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1Z9Y0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZH90.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGE0.71
BE7(4-CARBOXYPHENYL)(CHLORO)MERCURYA1ZGF0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.7
8535-[2-ACETYLAMINO-2-(1-BIPHENYL-
4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-
ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID		A1O480.72
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1F2W0.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2F140.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1BV30.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA2AW10.71
HGB4-(HYDROXYMERCURY)BENZOIC ACIDA1ZE80.71
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.79
GBS4-GUANIDINOBENZOIC ACIDX2AH40.74
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.74
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.74
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.74
PAB4-AMINOBENZOIC ACIDA1PBD0.72
PAB4-AMINOBENZOIC ACIDB2DZA0.72
PAB4-AMINOBENZOIC ACIDA1IUS0.72
PAB4-AMINOBENZOIC ACIDA1IUU0.72
PAB4-AMINOBENZOIC ACIDA1IUT0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74